3-cyclohexyl-1-cyclopentylbutane-1,3-diol

C15H28O2 — CID 57289443

IUPAC3-cyclohexyl-1-cyclopentylbutane-1,3-diol
SMILESCC(O)(CC(O)C1CCCC1)C1CCCCC1
InChIInChI=1S/C15H28O2/c1-15(17,13-9-3-2-4-10-13)11-14(16)12-7-5-6-8-12/h12-14,16-17H,2-11H2,1H3
InChIKeyMXKWHKKPCOODSX-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.26
Rot. Bonds4

About 3-cyclohexyl-1-cyclopentylbutane-1,3-diol

3-cyclohexyl-1-cyclopentylbutane-1,3-diol (PubChem CID 57289443) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-cyclopentylbutane-1,3-diol.

Molecular Properties

Compound Name3-cyclohexyl-1-cyclopentylbutane-1,3-diol
PubChem CID57289443
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-cyclohexyl-1-cyclopentylbutane-1,3-diol
SMILESCC(O)(CC(O)C1CCCC1)C1CCCCC1
InChIInChI=1S/C15H28O2/c1-15(17,13-9-3-2-4-10-13)11-14(16)12-7-5-6-8-12/h12-14,16-17H,2-11H2,1H3
InChIKeyMXKWHKKPCOODSX-UHFFFAOYSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-1-amino-2-cyclohexylpropan-2-ol
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4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
2-cyclohexylpentan-2-ol
CID 75245103
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
(2R)-1-amino-2-cyclopentylpropan-2-ol
CID 94524784
1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol
CID 104752733
2-cyclopentyl-1-(cyclopentylamino)propan-2-ol
CID 82239501
1-cyclooctylethane-1,1-diol
CID 22410754
2-cyclononadecylpropan-2-ol
CID 126587376

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-cyclopentylbutane-1,3-diol?
The IUPAC name of 3-cyclohexyl-1-cyclopentylbutane-1,3-diol (CID 57289443) is 3-cyclohexyl-1-cyclopentylbutane-1,3-diol.
What is the SMILES notation for 3-cyclohexyl-1-cyclopentylbutane-1,3-diol?
The canonical SMILES for 3-cyclohexyl-1-cyclopentylbutane-1,3-diol is CC(O)(CC(O)C1CCCC1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-cyclopentylbutane-1,3-diol?
The InChIKey is MXKWHKKPCOODSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-15(17,13-9-3-2-4-10-13)11-14(16)12-7-5-6-8-12/h12-14,16-17H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-cyclopentylbutane-1,3-diol?
3-cyclohexyl-1-cyclopentylbutane-1,3-diol has a molecular weight of 240.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-cyclopentylbutane-1,3-diol is sourced from PubChem (CID 57289443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).