2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol

C10H16O — CID 130122720

IUPAC2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol
SMILESC/C=C/CC1=C(C)CCC1O
InChIInChI=1S/C10H16O/c1-3-4-5-9-8(2)6-7-10(9)11/h3-4,10-11H,5-7H2,1-2H3/b4-3+
InChIKeyFBKAGOVOLNLYNW-ONEGZZNKSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds2

About 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol

2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol (PubChem CID 130122720) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol
PubChem CID130122720
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol
SMILESC/C=C/CC1=C(C)CCC1O
InChIInChI=1S/C10H16O/c1-3-4-5-9-8(2)6-7-10(9)11/h3-4,10-11H,5-7H2,1-2H3/b4-3+
InChIKeyFBKAGOVOLNLYNW-ONEGZZNKSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
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 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol?
The IUPAC name of 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol (CID 130122720) is 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol?
The canonical SMILES for 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol is C/C=C/CC1=C(C)CCC1O.
What is the InChIKey of 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol?
The InChIKey is FBKAGOVOLNLYNW-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-5-9-8(2)6-7-10(9)11/h3-4,10-11H,5-7H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol?
2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 130122720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).