[1-(3,3-dimethylbutyl)cyclobutyl]methanol

C11H22O — CID 66023658

IUPAC[1-(3,3-dimethylbutyl)cyclobutyl]methanol
SMILESCC(C)(C)CCC1(CO)CCC1
InChIInChI=1S/C11H22O/c1-10(2,3)7-8-11(9-12)5-4-6-11/h12H,4-9H2,1-3H3
InChIKeyXWMNABXRIBPQAY-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.98
Rot. Bonds3

About [1-(3,3-dimethylbutyl)cyclobutyl]methanol

[1-(3,3-dimethylbutyl)cyclobutyl]methanol (PubChem CID 66023658) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is [1-(3,3-dimethylbutyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(3,3-dimethylbutyl)cyclobutyl]methanol
PubChem CID66023658
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name[1-(3,3-dimethylbutyl)cyclobutyl]methanol
SMILESCC(C)(C)CCC1(CO)CCC1
InChIInChI=1S/C11H22O/c1-10(2,3)7-8-11(9-12)5-4-6-11/h12H,4-9H2,1-3H3
InChIKeyXWMNABXRIBPQAY-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutyl)cyclobutyl]methanol?
The IUPAC name of [1-(3,3-dimethylbutyl)cyclobutyl]methanol (CID 66023658) is [1-(3,3-dimethylbutyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(3,3-dimethylbutyl)cyclobutyl]methanol?
The canonical SMILES for [1-(3,3-dimethylbutyl)cyclobutyl]methanol is CC(C)(C)CCC1(CO)CCC1.
What is the InChIKey of [1-(3,3-dimethylbutyl)cyclobutyl]methanol?
The InChIKey is XWMNABXRIBPQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2,3)7-8-11(9-12)5-4-6-11/h12H,4-9H2,1-3H3.
What are the key properties of [1-(3,3-dimethylbutyl)cyclobutyl]methanol?
[1-(3,3-dimethylbutyl)cyclobutyl]methanol has a molecular weight of 170.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutyl)cyclobutyl]methanol is sourced from PubChem (CID 66023658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).