Chemical ID: 6666942

CCC(C)Oc1cccc2c1cccc2
Chemical ID:
6666942
Name [?]:
1-sec-butoxynaphthalene
SMILES [?]:
CCC(C)Oc1cccc2c1cccc2
InChi [?]:
InChI=1/C14H16O/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,14,13,8,15,9,12,7,3,10,11,6,5/rA:15cCCCCOCCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s13;s10d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.80885
Area:380.279
Solvation:-1.69813
Coulombic:-10.6518
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.276
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.44
LogP (Chemaxon):4.02

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Descriptor Annotations

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