(1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol

C13H22O2 — CID 134995690

IUPAC(1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol
SMILESCC1=CC[C@@]2(C)CC[C@H](CO)C[C@@H]1[C@H]2O
InChIInChI=1S/C13H22O2/c1-9-3-5-13(2)6-4-10(8-14)7-11(9)12(13)15/h3,10-12,14-15H,4-8H2,1-2H3/t10-,11-,12+,13-/m0/s1
InChIKeyOEAMHBFPBBIXMP-RVMXOQNASA-N
MW210.32 g/mol
LogP2.11
Rot. Bonds1

About (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol

(1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol (PubChem CID 134995690) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol.

Molecular Properties

Compound Name(1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol
PubChem CID134995690
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol
SMILESCC1=CC[C@@]2(C)CC[C@H](CO)C[C@@H]1[C@H]2O
InChIInChI=1S/C13H22O2/c1-9-3-5-13(2)6-4-10(8-14)7-11(9)12(13)15/h3,10-12,14-15H,4-8H2,1-2H3/t10-,11-,12+,13-/m0/s1
InChIKeyOEAMHBFPBBIXMP-RVMXOQNASA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol?
The IUPAC name of (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol (CID 134995690) is (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol.
What is the SMILES notation for (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol?
The canonical SMILES for (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol is CC1=CC[C@@]2(C)CC[C@H](CO)C[C@@H]1[C@H]2O.
What is the InChIKey of (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol?
The InChIKey is OEAMHBFPBBIXMP-RVMXOQNASA-N. The full InChI is InChI=1S/C13H22O2/c1-9-3-5-13(2)6-4-10(8-14)7-11(9)12(13)15/h3,10-12,14-15H,4-8H2,1-2H3/t10-,11-,12+,13-/m0/s1.
What are the key properties of (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol?
(1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol has a molecular weight of 210.32 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S,10R)-4-(hydroxymethyl)-1,7-dimethylbicyclo[4.3.1]dec-7-en-10-ol is sourced from PubChem (CID 134995690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).