1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol

C10H17ClO — CID 15105152

IUPAC1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol
SMILESCC1(O)C2CCCC1(Cl)CCC2
InChIInChI=1S/C10H17ClO/c1-9(12)8-4-2-6-10(9,11)7-3-5-8/h8,12H,2-7H2,1H3
InChIKeyJYMMXFKGMDCXAH-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.70
Rot. Bonds

About 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol

1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol (PubChem CID 15105152) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol
PubChem CID15105152
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol
SMILESCC1(O)C2CCCC1(Cl)CCC2
InChIInChI=1S/C10H17ClO/c1-9(12)8-4-2-6-10(9,11)7-3-5-8/h8,12H,2-7H2,1H3
InChIKeyJYMMXFKGMDCXAH-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130554936
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(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
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(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
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trans-(1Z,1R,2R)-N,2-dihydroxy-2-methylcyclopentane-1-carboximidoyl chloride
CID 167088658
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol (CID 15105152) is 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol is CC1(O)C2CCCC1(Cl)CCC2.
What is the InChIKey of 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol?
The InChIKey is JYMMXFKGMDCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-9(12)8-4-2-6-10(9,11)7-3-5-8/h8,12H,2-7H2,1H3.
What are the key properties of 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol?
1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol has a molecular weight of 188.70 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 15105152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).