(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol

C12H20O — CID 10749891

IUPAC(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol
SMILESC=C1C[C@@]2(C)CC(O)C[C@@](C)(C1)C2
InChIInChI=1S/C12H20O/c1-9-4-11(2)6-10(13)7-12(3,5-9)8-11/h10,13H,1,4-8H2,2-3H3/t10?,11-,12+
InChIKeyRNKMVNKGLUABJS-YOGCLGLASA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds

About (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol

(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol (PubChem CID 10749891) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol
PubChem CID10749891
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol
SMILESC=C1C[C@@]2(C)CC(O)C[C@@](C)(C1)C2
InChIInChI=1S/C12H20O/c1-9-4-11(2)6-10(13)7-12(3,5-9)8-11/h10,13H,1,4-8H2,2-3H3/t10?,11-,12+
InChIKeyRNKMVNKGLUABJS-YOGCLGLASA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol (CID 10749891) is (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol is C=C1C[C@@]2(C)CC(O)C[C@@](C)(C1)C2.
What is the InChIKey of (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol?
The InChIKey is RNKMVNKGLUABJS-YOGCLGLASA-N. The full InChI is InChI=1S/C12H20O/c1-9-4-11(2)6-10(13)7-12(3,5-9)8-11/h10,13H,1,4-8H2,2-3H3/t10?,11-,12+.
What are the key properties of (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol?
(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 10749891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).