1-cyclohexyl-3-ethylpentane-2,3-diol

C13H26O2 — CID 103449466

IUPAC1-cyclohexyl-3-ethylpentane-2,3-diol
SMILESCCC(O)(CC)C(O)CC1CCCCC1
InChIInChI=1S/C13H26O2/c1-3-13(15,4-2)12(14)10-11-8-6-5-7-9-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeyWUJHVEZEKOKDTP-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.87
Rot. Bonds5

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

1-cyclohexyl-3-ethylpentane-2,3-diol (PubChem CID 103449466) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethylpentane-2,3-diol.

Molecular Properties

Compound Name1-cyclohexyl-3-ethylpentane-2,3-diol
PubChem CID103449466
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-cyclohexyl-3-ethylpentane-2,3-diol
SMILESCCC(O)(CC)C(O)CC1CCCCC1
InChIInChI=1S/C13H26O2/c1-3-13(15,4-2)12(14)10-11-8-6-5-7-9-11/h11-12,14-15H,3-10H2,1-2H3
InChIKeyWUJHVEZEKOKDTP-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-methylpentane-2,3-diol
CID 103448798
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79065510
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1-chloro-3-cyclobutyl-1,1-difluoropropan-2-ol
CID 112575215
(2S)-2-amino-1-cyclohexyl-6-methylheptane-3,3-diol
CID 67810554
1-cycloheptyloctan-2-ol
CID 115783533

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethylpentane-2,3-diol?
The IUPAC name of 1-cyclohexyl-3-ethylpentane-2,3-diol (CID 103449466) is 1-cyclohexyl-3-ethylpentane-2,3-diol.
What is the SMILES notation for 1-cyclohexyl-3-ethylpentane-2,3-diol?
The canonical SMILES for 1-cyclohexyl-3-ethylpentane-2,3-diol is CCC(O)(CC)C(O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethylpentane-2,3-diol?
The InChIKey is WUJHVEZEKOKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-13(15,4-2)12(14)10-11-8-6-5-7-9-11/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-ethylpentane-2,3-diol?
1-cyclohexyl-3-ethylpentane-2,3-diol has a molecular weight of 214.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethylpentane-2,3-diol is sourced from PubChem (CID 103449466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).