1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol

C9H16O — CID 103564437

IUPAC1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(CC2CC2)C1
InChIInChI=1S/C9H16O/c1-7-4-9(10,5-7)6-8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeyHJTBNUGGMJVAEQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds2

About 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol

1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol (PubChem CID 103564437) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol
PubChem CID103564437
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(CC2CC2)C1
InChIInChI=1S/C9H16O/c1-7-4-9(10,5-7)6-8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeyHJTBNUGGMJVAEQ-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol?
The IUPAC name of 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol (CID 103564437) is 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol is CC1CC(O)(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol?
The InChIKey is HJTBNUGGMJVAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-9(10,5-7)6-8-2-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol?
1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-methylcyclobutan-1-ol is sourced from PubChem (CID 103564437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).