3-cyclohexyl-2-methylpropane-1,1-diol

C10H20O2 — CID 20647941

IUPAC3-cyclohexyl-2-methylpropane-1,1-diol
SMILESCC(CC1CCCCC1)C(O)O
InChIInChI=1S/C10H20O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h8-12H,2-7H2,1H3
InChIKeyAWTQVQXBYOEWHR-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.90
Rot. Bonds3

About 3-cyclohexyl-2-methylpropane-1,1-diol

3-cyclohexyl-2-methylpropane-1,1-diol (PubChem CID 20647941) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylpropane-1,1-diol.

Molecular Properties

Compound Name3-cyclohexyl-2-methylpropane-1,1-diol
PubChem CID20647941
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-cyclohexyl-2-methylpropane-1,1-diol
SMILESCC(CC1CCCCC1)C(O)O
InChIInChI=1S/C10H20O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h8-12H,2-7H2,1H3
InChIKeyAWTQVQXBYOEWHR-UHFFFAOYSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
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cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
2,3,5,5-tetramethylhexylcyclohexane
CID 57232687
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
1-cyclohexyl-6-methylheptane-2,4-diol
CID 173250018
methane;2-methylpropylcyclopentane
CID 161254337

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylpropane-1,1-diol?
The IUPAC name of 3-cyclohexyl-2-methylpropane-1,1-diol (CID 20647941) is 3-cyclohexyl-2-methylpropane-1,1-diol.
What is the SMILES notation for 3-cyclohexyl-2-methylpropane-1,1-diol?
The canonical SMILES for 3-cyclohexyl-2-methylpropane-1,1-diol is CC(CC1CCCCC1)C(O)O.
What is the InChIKey of 3-cyclohexyl-2-methylpropane-1,1-diol?
The InChIKey is AWTQVQXBYOEWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h8-12H,2-7H2,1H3.
What are the key properties of 3-cyclohexyl-2-methylpropane-1,1-diol?
3-cyclohexyl-2-methylpropane-1,1-diol has a molecular weight of 172.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylpropane-1,1-diol is sourced from PubChem (CID 20647941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).