[1-[(Z)-but-2-enyl]cyclobutyl]methanol

C9H16O — CID 70574209

IUPAC[1-[(Z)-but-2-enyl]cyclobutyl]methanol
SMILESC/C=C\CC1(CO)CCC1
InChIInChI=1S/C9H16O/c1-2-3-5-9(8-10)6-4-7-9/h2-3,10H,4-8H2,1H3/b3-2-
InChIKeyZYRUMMWOCRFUFR-IHWYPQMZSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds3

About [1-[(Z)-but-2-enyl]cyclobutyl]methanol

[1-[(Z)-but-2-enyl]cyclobutyl]methanol (PubChem CID 70574209) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [1-[(Z)-but-2-enyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(Z)-but-2-enyl]cyclobutyl]methanol
PubChem CID70574209
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[1-[(Z)-but-2-enyl]cyclobutyl]methanol
SMILESC/C=C\CC1(CO)CCC1
InChIInChI=1S/C9H16O/c1-2-3-5-9(8-10)6-4-7-9/h2-3,10H,4-8H2,1H3/b3-2-
InChIKeyZYRUMMWOCRFUFR-IHWYPQMZSA-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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Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-but-2-enyl]cyclobutyl]methanol?
The IUPAC name of [1-[(Z)-but-2-enyl]cyclobutyl]methanol (CID 70574209) is [1-[(Z)-but-2-enyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(Z)-but-2-enyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(Z)-but-2-enyl]cyclobutyl]methanol is C/C=C\CC1(CO)CCC1.
What is the InChIKey of [1-[(Z)-but-2-enyl]cyclobutyl]methanol?
The InChIKey is ZYRUMMWOCRFUFR-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-5-9(8-10)6-4-7-9/h2-3,10H,4-8H2,1H3/b3-2-.
What are the key properties of [1-[(Z)-but-2-enyl]cyclobutyl]methanol?
[1-[(Z)-but-2-enyl]cyclobutyl]methanol 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 [1-[(Z)-but-2-enyl]cyclobutyl]methanol is sourced from PubChem (CID 70574209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).