Chemical ID: 4678362

CCCC(C)C1=CC2C=CCC3C2(C=C1)C4CC=CCC45C=CC=C6C5(C3)c7ccccc7C=C6
Chemical ID:
4678362
Name [?]:
None
SMILES [?]:
CCCC(C)C1=CC2C=CCC3C2(C=C1)C4CC=CCC45C=CC=C6C5(C3)c7ccccc7C=C6
InChi [?]:
InChI=1/C35H38/c1-3-10-25(2)27-19-22-34-29(23-27)12-8-13-30(34)24-35-28(18-17-26-11-4-5-15-31(26)35)14-9-21-33(35)20-7-6-16-32(33)34/h4-9,11-12,14-15,17-19,21-23,25,29-30,32H,3,10,13,16,20,24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,31,30,18,19,10,23,3,32,9,11,24,29,17,34,35,15,20,22,14,7,27,4,33,6,25,8,12,28,16,21,13,26/rA:35cCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s7;s8;d9;s10;s11;s8s12;s13;s6d14;s13;s16;s17;d18;s19;s16s20;s21;d22;s23;d24;s21s25;s12s26;s26;s28;d29;s30;d31;d28s32;s33;s25d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C35H38
All Atoms:35
Heavy Atoms:35
Chiral Atoms:7
ZAP Information [?]
Total:14.1978
Area:614.31
Solvation:-1.15998
Coulombic:-10.314
Bond Count [?]
All:41
Single:31
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:458.676
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:9.02
LogP (Chemaxon):8.0

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Descriptor Annotations

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