(1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol

C20H30O — CID 162903532

IUPAC(1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol
SMILESCC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]1(O)C2
InChIInChI=1S/C20H30O/c1-14(2)15-6-7-17-13-20(21)11-5-10-19(3,4)18(20)9-8-16(17)12-15/h6-7,12,14,18,21H,5,8-11,13H2,1-4H3/t18-,20-/m0/s1
InChIKeyQBLMKBJKECLBOF-ICSRJNTNSA-N
MW286.46 g/mol
LogP4.86
Rot. Bonds1

About (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol

(1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol (PubChem CID 162903532) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol.

Molecular Properties

Compound Name(1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol
PubChem CID162903532
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol
SMILESCC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]1(O)C2
InChIInChI=1S/C20H30O/c1-14(2)15-6-7-17-13-20(21)11-5-10-19(3,4)18(20)9-8-16(17)12-15/h6-7,12,14,18,21H,5,8-11,13H2,1-4H3/t18-,20-/m0/s1
InChIKeyQBLMKBJKECLBOF-ICSRJNTNSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol?
The IUPAC name of (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol (CID 162903532) is (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol.
What is the SMILES notation for (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol?
The canonical SMILES for (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol is CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]1(O)C2.
What is the InChIKey of (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol?
The InChIKey is QBLMKBJKECLBOF-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H30O/c1-14(2)15-6-7-17-13-20(21)11-5-10-19(3,4)18(20)9-8-16(17)12-15/h6-7,12,14,18,21H,5,8-11,13H2,1-4H3/t18-,20-/m0/s1.
What are the key properties of (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol?
(1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol has a molecular weight of 286.46 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-1-ol is sourced from PubChem (CID 162903532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).