1,1-dicyclohexylpropane-2,2-diol

C15H28O2 — CID 141350052

IUPAC1,1-dicyclohexylpropane-2,2-diol
SMILESCC(O)(O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28O2/c1-15(16,17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-14,16-17H,2-11H2,1H3
InChIKeyVKUQGHGWJYELCG-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.46
Rot. Bonds3

About 1,1-dicyclohexylpropane-2,2-diol

1,1-dicyclohexylpropane-2,2-diol (PubChem CID 141350052) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,1-dicyclohexylpropane-2,2-diol.

Molecular Properties

Compound Name1,1-dicyclohexylpropane-2,2-diol
PubChem CID141350052
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1,1-dicyclohexylpropane-2,2-diol
SMILESCC(O)(O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28O2/c1-15(16,17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-14,16-17H,2-11H2,1H3
InChIKeyVKUQGHGWJYELCG-UHFFFAOYSA-N
XLogP3.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.46
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

(1,1-dicyclohexyl-2-methylpropan-2-yl) dihydrogen phosphite
CID 69302484
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 89281788
(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
CID 546182
3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81389207
(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid
CID 130286975
1-cyclohexyl-4-methylpent-2-yne-1,4-diol
CID 18509553
3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384379
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
2-[cyclopentyl(hydroxy)methoxy]propan-2-ol
CID 91264670
2,3-dicyclohexylbutane-2,3-diol
CID 50741678

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylpropane-2,2-diol?
The IUPAC name of 1,1-dicyclohexylpropane-2,2-diol (CID 141350052) is 1,1-dicyclohexylpropane-2,2-diol.
What is the SMILES notation for 1,1-dicyclohexylpropane-2,2-diol?
The canonical SMILES for 1,1-dicyclohexylpropane-2,2-diol is CC(O)(O)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylpropane-2,2-diol?
The InChIKey is VKUQGHGWJYELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-15(16,17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-14,16-17H,2-11H2,1H3.
What are the key properties of 1,1-dicyclohexylpropane-2,2-diol?
1,1-dicyclohexylpropane-2,2-diol has a molecular weight of 240.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylpropane-2,2-diol is sourced from PubChem (CID 141350052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).