[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol

C12H24O2 — CID 18784276

IUPAC[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
SMILESCCCCC1CCCCC1(CO)CO
InChIInChI=1S/C12H24O2/c1-2-3-6-11-7-4-5-8-12(11,9-13)10-14/h11,13-14H,2-10H2,1H3
InChIKeyNSORTJZOXCCQOP-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.34
Rot. Bonds5

About [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol

[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 18784276) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
PubChem CID18784276
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
SMILESCCCCC1CCCCC1(CO)CO
InChIInChI=1S/C12H24O2/c1-2-3-6-11-7-4-5-8-12(11,9-13)10-14/h11,13-14H,2-10H2,1H3
InChIKeyNSORTJZOXCCQOP-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol (CID 18784276) is [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol is CCCCC1CCCCC1(CO)CO.
What is the InChIKey of [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is NSORTJZOXCCQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-6-11-7-4-5-8-12(11,9-13)10-14/h11,13-14H,2-10H2,1H3.
What are the key properties of [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol?
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 200.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-1-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 18784276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).