2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol

C14H28O2 — CID 121291205

IUPAC2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol
SMILESCCC(C)C1CCCC(CO)C1C(C)CO
InChIInChI=1S/C14H28O2/c1-4-10(2)13-7-5-6-12(9-16)14(13)11(3)8-15/h10-16H,4-9H2,1-3H3
InChIKeyPVHJWUVRHIMULS-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.69
Rot. Bonds5

About 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol

2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol (PubChem CID 121291205) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol
PubChem CID121291205
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol
SMILESCCC(C)C1CCCC(CO)C1C(C)CO
InChIInChI=1S/C14H28O2/c1-4-10(2)13-7-5-6-12(9-16)14(13)11(3)8-15/h10-16H,4-9H2,1-3H3
InChIKeyPVHJWUVRHIMULS-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
1-butan-2-yl-2-(4-methylpentan-2-yl)cyclopentane
CID 123699585
2-butan-2-ylcycloheptan-1-ol
CID 23148884
[2-(2-methylpentan-3-ylamino)cyclopentyl]methanol
CID 115723783
2-(2-butan-2-ylcyclopropyl)ethanol
CID 123287360
N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane
CID 156836812
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol
CID 71071102

Frequently Asked Questions

What is the IUPAC name of 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol (CID 121291205) is 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol is CCC(C)C1CCCC(CO)C1C(C)CO.
What is the InChIKey of 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol?
The InChIKey is PVHJWUVRHIMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-10(2)13-7-5-6-12(9-16)14(13)11(3)8-15/h10-16H,4-9H2,1-3H3.
What are the key properties of 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol?
2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butan-2-yl-6-(hydroxymethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 121291205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).