[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate

C14H26O3 — CID 151792785

IUPAC[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCC1(CO)CCCCC1
InChIInChI=1S/C14H26O3/c1-3-12(4-2)13(16)17-11-14(10-15)8-6-5-7-9-14/h12,15H,3-11H2,1-2H3
InChIKeyRWYUKOKKKSQHRM-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.91
Rot. Bonds6

About [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate

[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate (PubChem CID 151792785) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate
PubChem CID151792785
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCC1(CO)CCCCC1
InChIInChI=1S/C14H26O3/c1-3-12(4-2)13(16)17-11-14(10-15)8-6-5-7-9-14/h12,15H,3-11H2,1-2H3
InChIKeyRWYUKOKKKSQHRM-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
cyclobutane;2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
CID 67882707
[1-(2-ethylbutyl)cyclohexyl]methanol
CID 82934579
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
(1-ethylcycloheptyl)methanol
CID 56982411
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate
CID 59602505
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
butanoic acid;[1-(hydroxymethyl)cyclohexyl]methanol
CID 67588053
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate?
The IUPAC name of [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate (CID 151792785) is [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate.
What is the SMILES notation for [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate?
The canonical SMILES for [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate is CCC(CC)C(=O)OCC1(CO)CCCCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate?
The InChIKey is RWYUKOKKKSQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-12(4-2)13(16)17-11-14(10-15)8-6-5-7-9-14/h12,15H,3-11H2,1-2H3.
What are the key properties of [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate?
[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate has a molecular weight of 242.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate is sourced from PubChem (CID 151792785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).