(5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol

C14H24O — CID 126499919

IUPAC(5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol
SMILESCCCCC1C=CC(O)/C1=C/CC(C)C
InChIInChI=1S/C14H24O/c1-4-5-6-12-8-10-14(15)13(12)9-7-11(2)3/h8-12,14-15H,4-7H2,1-3H3/b13-9+
InChIKeyYFNNVHITRJACAJ-UKTHLTGXSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds5

About (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol

(5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol (PubChem CID 126499919) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol
PubChem CID126499919
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol
SMILESCCCCC1C=CC(O)/C1=C/CC(C)C
InChIInChI=1S/C14H24O/c1-4-5-6-12-8-10-14(15)13(12)9-7-11(2)3/h8-12,14-15H,4-7H2,1-3H3/b13-9+
InChIKeyYFNNVHITRJACAJ-UKTHLTGXSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
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 (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol?
The IUPAC name of (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol (CID 126499919) is (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol.
What is the SMILES notation for (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol?
The canonical SMILES for (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol is CCCCC1C=CC(O)/C1=C/CC(C)C.
What is the InChIKey of (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol?
The InChIKey is YFNNVHITRJACAJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H24O/c1-4-5-6-12-8-10-14(15)13(12)9-7-11(2)3/h8-12,14-15H,4-7H2,1-3H3/b13-9+.
What are the key properties of (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol?
(5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-butyl-5-(3-methylbutylidene)cyclopent-2-en-1-ol is sourced from PubChem (CID 126499919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).