2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol

C20H32O — CID 162992749

IUPAC2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol
SMILESCC1=CCCC(C)CCC2=C(C)C3C1CCC3(C)C(O)C2
InChIInChI=1S/C20H32O/c1-13-6-5-7-14(2)17-10-11-20(4)18(21)12-16(9-8-13)15(3)19(17)20/h7,13,17-19,21H,5-6,8-12H2,1-4H3
InChIKeyGVJGJZOHUQUEBW-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.26
Rot. Bonds

About 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol

2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol (PubChem CID 162992749) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol.

Molecular Properties

Compound Name2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol
PubChem CID162992749
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol
SMILESCC1=CCCC(C)CCC2=C(C)C3C1CCC3(C)C(O)C2
InChIInChI=1S/C20H32O/c1-13-6-5-7-14(2)17-10-11-20(4)18(21)12-16(9-8-13)15(3)19(17)20/h7,13,17-19,21H,5-6,8-12H2,1-4H3
InChIKeyGVJGJZOHUQUEBW-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol?
The IUPAC name of 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol (CID 162992749) is 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol.
What is the SMILES notation for 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol?
The canonical SMILES for 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol is CC1=CCCC(C)CCC2=C(C)C3C1CCC3(C)C(O)C2.
What is the InChIKey of 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol?
The InChIKey is GVJGJZOHUQUEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-13-6-5-7-14(2)17-10-11-20(4)18(21)12-16(9-8-13)15(3)19(17)20/h7,13,17-19,21H,5-6,8-12H2,1-4H3.
What are the key properties of 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol?
2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol has a molecular weight of 288.48 g/mol, XLogP of 5.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-11-ol is sourced from PubChem (CID 162992749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).