(4-pentan-3-yloxycyclohexyl)methanol

C12H24O2 — CID 106825274

IUPAC(4-pentan-3-yloxycyclohexyl)methanol
SMILESCCC(CC)OC1CCC(CO)CC1
InChIInChI=1S/C12H24O2/c1-3-11(4-2)14-12-7-5-10(9-13)6-8-12/h10-13H,3-9H2,1-2H3
InChIKeyWKACGYYMFFCQOX-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds5

About (4-pentan-3-yloxycyclohexyl)methanol

(4-pentan-3-yloxycyclohexyl)methanol (PubChem CID 106825274) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (4-pentan-3-yloxycyclohexyl)methanol.

Molecular Properties

Compound Name(4-pentan-3-yloxycyclohexyl)methanol
PubChem CID106825274
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(4-pentan-3-yloxycyclohexyl)methanol
SMILESCCC(CC)OC1CCC(CO)CC1
InChIInChI=1S/C12H24O2/c1-3-11(4-2)14-12-7-5-10(9-13)6-8-12/h10-13H,3-9H2,1-2H3
InChIKeyWKACGYYMFFCQOX-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethoxyethane;[4-(hydroxymethyl)cyclohexyl]methanol
CID 71186530
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238
2-cycloheptyloxy-N-methylbutan-1-amine
CID 62460220
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
[4-(3-methylbut-2-enoxy)cyclohexyl]methanol
CID 106825560
cyclobutylmethanol;ethanol
CID 68532840
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
CID 154096960
N-methyl-2-(1-methylpiperidin-4-yl)oxybutan-1-amine
CID 62441247
ethyl 3-amino-5-pentan-3-yloxycyclohexane-1-carboxylate
CID 175721784
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
(S)-[4-(hydroxymethyl)cyclohexyl]-methoxymethanol
CID 145057909

Frequently Asked Questions

What is the IUPAC name of (4-pentan-3-yloxycyclohexyl)methanol?
The IUPAC name of (4-pentan-3-yloxycyclohexyl)methanol (CID 106825274) is (4-pentan-3-yloxycyclohexyl)methanol.
What is the SMILES notation for (4-pentan-3-yloxycyclohexyl)methanol?
The canonical SMILES for (4-pentan-3-yloxycyclohexyl)methanol is CCC(CC)OC1CCC(CO)CC1.
What is the InChIKey of (4-pentan-3-yloxycyclohexyl)methanol?
The InChIKey is WKACGYYMFFCQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-11(4-2)14-12-7-5-10(9-13)6-8-12/h10-13H,3-9H2,1-2H3.
What are the key properties of (4-pentan-3-yloxycyclohexyl)methanol?
(4-pentan-3-yloxycyclohexyl)methanol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentan-3-yloxycyclohexyl)methanol is sourced from PubChem (CID 106825274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).