(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol

C11H18O2 — CID 78426246

IUPAC(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol
SMILESC[C@@]12CCC=CC(O)(CCC1O)C2
InChIInChI=1S/C11H18O2/c1-10-5-2-3-6-11(13,8-10)7-4-9(10)12/h3,6,9,12-13H,2,4-5,7-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyKQEWVNKSFSKGNJ-YVNMAJEFSA-N
MW182.26 g/mol
LogP1.62
Rot. Bonds

About (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol

(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol (PubChem CID 78426246) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol.

Molecular Properties

Compound Name(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol
PubChem CID78426246
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol
SMILESC[C@@]12CCC=CC(O)(CCC1O)C2
InChIInChI=1S/C11H18O2/c1-10-5-2-3-6-11(13,8-10)7-4-9(10)12/h3,6,9,12-13H,2,4-5,7-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyKQEWVNKSFSKGNJ-YVNMAJEFSA-N
XLogP1.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(1S,4S,4aS,8aS)-4,8a-dimethyl-1,2,3,4a,7,8-hexahydronaphthalene-1,4-diol
CID 71584489
(1R,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902598
(1S,2R,5R,8R,9S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902597
(1R,4S,4aR,8aR)-4,8a-dimethyl-1,2,3,4a,7,8-hexahydronaphthalene-1,4-diol
CID 10488138
(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 6558363
(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
CID 44584079
(4S,4aS,8aS)-4,8a-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CID 24796744
(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
CID 131115230
(1R,4R,8S,9R)-4-(3,4-dihydroxypentyl)-4,8-dimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
CID 101437138
6,6-dimethylcyclohex-2-en-1-ol
CID 550886
2,2,3,3-tetramethylcyclopentan-1-ol
CID 20584587

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol?
The IUPAC name of (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol (CID 78426246) is (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol.
What is the SMILES notation for (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol?
The canonical SMILES for (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol is C[C@@]12CCC=CC(O)(CCC1O)C2.
What is the InChIKey of (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol?
The InChIKey is KQEWVNKSFSKGNJ-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H18O2/c1-10-5-2-3-6-11(13,8-10)7-4-9(10)12/h3,6,9,12-13H,2,4-5,7-8H2,1H3/t9?,10-,11?/m0/s1.
What are the key properties of (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol?
(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol has a molecular weight of 182.26 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol is sourced from PubChem (CID 78426246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).