[1-(4-methoxybutan-2-yl)cyclobutyl]methanol

C10H20O2 — CID 116500225

IUPAC[1-(4-methoxybutan-2-yl)cyclobutyl]methanol
SMILESCOCCC(C)C1(CO)CCC1
InChIInChI=1S/C10H20O2/c1-9(4-7-12-2)10(8-11)5-3-6-10/h9,11H,3-8H2,1-2H3
InChIKeyNZVDANKPMHDGMC-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds5

About [1-(4-methoxybutan-2-yl)cyclobutyl]methanol

[1-(4-methoxybutan-2-yl)cyclobutyl]methanol (PubChem CID 116500225) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [1-(4-methoxybutan-2-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(4-methoxybutan-2-yl)cyclobutyl]methanol
PubChem CID116500225
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[1-(4-methoxybutan-2-yl)cyclobutyl]methanol
SMILESCOCCC(C)C1(CO)CCC1
InChIInChI=1S/C10H20O2/c1-9(4-7-12-2)10(8-11)5-3-6-10/h9,11H,3-8H2,1-2H3
InChIKeyNZVDANKPMHDGMC-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-1-(4-methoxybutan-2-yl)cyclopentane
CID 116500273
1-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 116500171
[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride
CID 155893033
3-[1-(aminomethyl)cyclobutyl]butan-1-ol
CID 71758156
[1-[1-(methylamino)ethyl]cyclobutyl]methanol;hydrochloride
CID 155893479
1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429641
1-(1-hydroxy-3-methoxypropyl)cyclohexan-1-ol
CID 69080756
4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
CID 115839615
1-(methoxymethyl)-1-propan-2-ylcyclobutane
CID 90167872
1-[1-(hydroxymethyl)cyclobutyl]-3-methylbutan-1-ol
CID 102551279
2-[1-(1-aminoethyl)cyclohexyl]ethanol
CID 66091695
5-methoxy-1-(1-methoxycyclobutyl)-3-methylpentan-2-amine
CID 103559873

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutan-2-yl)cyclobutyl]methanol?
The IUPAC name of [1-(4-methoxybutan-2-yl)cyclobutyl]methanol (CID 116500225) is [1-(4-methoxybutan-2-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(4-methoxybutan-2-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(4-methoxybutan-2-yl)cyclobutyl]methanol is COCCC(C)C1(CO)CCC1.
What is the InChIKey of [1-(4-methoxybutan-2-yl)cyclobutyl]methanol?
The InChIKey is NZVDANKPMHDGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(4-7-12-2)10(8-11)5-3-6-10/h9,11H,3-8H2,1-2H3.
What are the key properties of [1-(4-methoxybutan-2-yl)cyclobutyl]methanol?
[1-(4-methoxybutan-2-yl)cyclobutyl]methanol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybutan-2-yl)cyclobutyl]methanol is sourced from PubChem (CID 116500225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).