2-pentan-2-yl-4-propylcyclohexan-1-ol

C14H28O — CID 107885956

IUPAC2-pentan-2-yl-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(C(C)CCC)C1
InChIInChI=1S/C14H28O/c1-4-6-11(3)13-10-12(7-5-2)8-9-14(13)15/h11-15H,4-10H2,1-3H3
InChIKeyAKNUCGFVGMNQDM-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds5

About 2-pentan-2-yl-4-propylcyclohexan-1-ol

2-pentan-2-yl-4-propylcyclohexan-1-ol (PubChem CID 107885956) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-pentan-2-yl-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-pentan-2-yl-4-propylcyclohexan-1-ol
PubChem CID107885956
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-pentan-2-yl-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(C(C)CCC)C1
InChIInChI=1S/C14H28O/c1-4-6-11(3)13-10-12(7-5-2)8-9-14(13)15/h11-15H,4-10H2,1-3H3
InChIKeyAKNUCGFVGMNQDM-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-aminoethyl)-4-propylcyclohexan-1-ol
CID 170419376
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
(3R)-1-methyl-4-pentan-2-ylpiperidin-3-ol
CID 130368184
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
2-(2-methylbutyl)-4-propylcyclohexan-1-ol
CID 63459236
2-ethyl-5-propylcyclohexan-1-ol
CID 58534322
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-butan-2-yl-3-propylcyclopentane
CID 123336585
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-4-propylcyclohexan-1-ol?
The IUPAC name of 2-pentan-2-yl-4-propylcyclohexan-1-ol (CID 107885956) is 2-pentan-2-yl-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-pentan-2-yl-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-pentan-2-yl-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(C(C)CCC)C1.
What is the InChIKey of 2-pentan-2-yl-4-propylcyclohexan-1-ol?
The InChIKey is AKNUCGFVGMNQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-11(3)13-10-12(7-5-2)8-9-14(13)15/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-pentan-2-yl-4-propylcyclohexan-1-ol?
2-pentan-2-yl-4-propylcyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-4-propylcyclohexan-1-ol is sourced from PubChem (CID 107885956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).