Chemical ID: 4916833

CC1=C2CCC2(C34C(C1=O)CC(C3O)(CO4)C)C
Chemical ID:
4916833
Name [?]:
None
SMILES [?]:
CC1=C2CCC2(C34C(C1=O)CC(C3O)(CO4)C)C
InChi [?]:
InChI=1/C15H20O3/c1-8-9-4-5-14(9,3)15-10(11(8)16)6-13(2,7-18-15)12(15)17/h10,12,17H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,4,5,11,15,2,3,8,9,13,12,6,7,10,14,16/rA:18cCCCCCCCCCOCCCOCOCC/rB:s1;d2;s3;s4;s3s5;s6;s7;s2s8;d9;s8;s11;s7s12;s13;s12;s7s15;s12;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:5
ZAP Information [?]
Total:6.18843
Area:385.858
Solvation:-3.45803
Coulombic:-33.7473
Bond Count [?]
All:21
Single:19
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:248.318
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.06
LogP (Chemaxon):1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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