(2E)-2-(cyclobutylmethylidene)butan-1-ol

C9H16O — CID 131578216

IUPAC(2E)-2-(cyclobutylmethylidene)butan-1-ol
SMILESCC/C(=C\C1CCC1)CO
InChIInChI=1S/C9H16O/c1-2-8(7-10)6-9-4-3-5-9/h6,9-10H,2-5,7H2,1H3/b8-6+
InChIKeyPUOLAHMZZKUPSB-SOFGYWHQSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds3

About (2E)-2-(cyclobutylmethylidene)butan-1-ol

(2E)-2-(cyclobutylmethylidene)butan-1-ol (PubChem CID 131578216) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2E)-2-(cyclobutylmethylidene)butan-1-ol.

Molecular Properties

Compound Name(2E)-2-(cyclobutylmethylidene)butan-1-ol
PubChem CID131578216
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2E)-2-(cyclobutylmethylidene)butan-1-ol
SMILESCC/C(=C\C1CCC1)CO
InChIInChI=1S/C9H16O/c1-2-8(7-10)6-9-4-3-5-9/h6,9-10H,2-5,7H2,1H3/b8-6+
InChIKeyPUOLAHMZZKUPSB-SOFGYWHQSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cycloheptylmethylidene)butan-1-ol
CID 79335200
2-[(4-methylcyclohexyl)methylidene]butan-1-ol
CID 115278000
3-cyclopentyl-2-methylprop-2-en-1-ol
CID 79334568
4-(2-ethylbut-1-enyl)cyclohexan-1-one
CID 69279249
2-(cyclopropylmethylidene)-N-ethylbutan-1-amine
CID 79329303
4-(2-ethylbut-1-enyl)cyclohexane-1-carbonitrile
CID 166943874
[(E)-2-iodobut-1-enyl]cyclohexane
CID 11219259
N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
CID 79330249
[(Z)-2-propylhept-1-enyl]cyclopentane
CID 134978984
(2E)-2-[(4-methylcyclohexyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79328767
(E)-3-cyclobutyl-2-methylprop-2-en-1-amine
CID 131543133
N-methyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79329418

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(cyclobutylmethylidene)butan-1-ol?
The IUPAC name of (2E)-2-(cyclobutylmethylidene)butan-1-ol (CID 131578216) is (2E)-2-(cyclobutylmethylidene)butan-1-ol.
What is the SMILES notation for (2E)-2-(cyclobutylmethylidene)butan-1-ol?
The canonical SMILES for (2E)-2-(cyclobutylmethylidene)butan-1-ol is CC/C(=C\C1CCC1)CO.
What is the InChIKey of (2E)-2-(cyclobutylmethylidene)butan-1-ol?
The InChIKey is PUOLAHMZZKUPSB-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16O/c1-2-8(7-10)6-9-4-3-5-9/h6,9-10H,2-5,7H2,1H3/b8-6+.
What are the key properties of (2E)-2-(cyclobutylmethylidene)butan-1-ol?
(2E)-2-(cyclobutylmethylidene)butan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(cyclobutylmethylidene)butan-1-ol is sourced from PubChem (CID 131578216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).