[1-(2-ethylbutyl)cyclohexyl]methanol

C13H26O — CID 82934579

IUPAC[1-(2-ethylbutyl)cyclohexyl]methanol
SMILESCCC(CC)CC1(CO)CCCCC1
InChIInChI=1S/C13H26O/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12,14H,3-11H2,1-2H3
InChIKeyDXSDLKZLSWTULX-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.76
Rot. Bonds5

About [1-(2-ethylbutyl)cyclohexyl]methanol

[1-(2-ethylbutyl)cyclohexyl]methanol (PubChem CID 82934579) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is [1-(2-ethylbutyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-ethylbutyl)cyclohexyl]methanol
PubChem CID82934579
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name[1-(2-ethylbutyl)cyclohexyl]methanol
SMILESCCC(CC)CC1(CO)CCCCC1
InChIInChI=1S/C13H26O/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12,14H,3-11H2,1-2H3
InChIKeyDXSDLKZLSWTULX-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
CID 82935181
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
(1-ethylcycloheptyl)methanol
CID 56982411
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate
CID 151792785
[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
CID 81419360
1-(2-ethylbutyl)cyclohexane-1-carbothioic S-acid
CID 123653891
N-[[1-(2-ethylbutyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82930165
2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol
CID 141066493
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
CID 82930955
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
[1-(fluoromethyl)cycloheptyl]methanol
CID 84764269

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylbutyl)cyclohexyl]methanol?
The IUPAC name of [1-(2-ethylbutyl)cyclohexyl]methanol (CID 82934579) is [1-(2-ethylbutyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-ethylbutyl)cyclohexyl]methanol?
The canonical SMILES for [1-(2-ethylbutyl)cyclohexyl]methanol is CCC(CC)CC1(CO)CCCCC1.
What is the InChIKey of [1-(2-ethylbutyl)cyclohexyl]methanol?
The InChIKey is DXSDLKZLSWTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12,14H,3-11H2,1-2H3.
What are the key properties of [1-(2-ethylbutyl)cyclohexyl]methanol?
[1-(2-ethylbutyl)cyclohexyl]methanol has a molecular weight of 198.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylbutyl)cyclohexyl]methanol is sourced from PubChem (CID 82934579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).