1-cyclopentyl-4-ethylhexane-2,5-diol

C13H26O2 — CID 103160935

IUPAC1-cyclopentyl-4-ethylhexane-2,5-diol
SMILESCCC(CC(O)CC1CCCC1)C(C)O
InChIInChI=1S/C13H26O2/c1-3-12(10(2)14)9-13(15)8-11-6-4-5-7-11/h10-15H,3-9H2,1-2H3
InChIKeyGHAKWNGPPFIMOI-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.72
Rot. Bonds6

About 1-cyclopentyl-4-ethylhexane-2,5-diol

1-cyclopentyl-4-ethylhexane-2,5-diol (PubChem CID 103160935) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclopentyl-4-ethylhexane-2,5-diol.

Molecular Properties

Compound Name1-cyclopentyl-4-ethylhexane-2,5-diol
PubChem CID103160935
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-cyclopentyl-4-ethylhexane-2,5-diol
SMILESCCC(CC(O)CC1CCCC1)C(C)O
InChIInChI=1S/C13H26O2/c1-3-12(10(2)14)9-13(15)8-11-6-4-5-7-11/h10-15H,3-9H2,1-2H3
InChIKeyGHAKWNGPPFIMOI-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59949714
1-cyclohexyl-6-methylheptane-2,4-diol
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(2-ethyl-3-methylpentyl)cyclohexane
CID 91213059
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
5-cyclopentyl-4-hydroxy-2-propylpentanoic acid
CID 103159525
[2-(cyclopropylmethyl)-3-methylpentyl]cyclobutane
CID 57296236
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
CID 174274064
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-ethylhexane-2,5-diol?
The IUPAC name of 1-cyclopentyl-4-ethylhexane-2,5-diol (CID 103160935) is 1-cyclopentyl-4-ethylhexane-2,5-diol.
What is the SMILES notation for 1-cyclopentyl-4-ethylhexane-2,5-diol?
The canonical SMILES for 1-cyclopentyl-4-ethylhexane-2,5-diol is CCC(CC(O)CC1CCCC1)C(C)O.
What is the InChIKey of 1-cyclopentyl-4-ethylhexane-2,5-diol?
The InChIKey is GHAKWNGPPFIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-12(10(2)14)9-13(15)8-11-6-4-5-7-11/h10-15H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-ethylhexane-2,5-diol?
1-cyclopentyl-4-ethylhexane-2,5-diol has a molecular weight of 214.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-ethylhexane-2,5-diol is sourced from PubChem (CID 103160935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).