4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal

C19H34O — CID 174014215

IUPAC4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal
SMILESCCC(C=O)CCC1CC(CCC=C(C)C)C(C)C1C
InChIInChI=1S/C19H34O/c1-6-17(13-20)10-11-19-12-18(15(4)16(19)5)9-7-8-14(2)3/h8,13,15-19H,6-7,9-12H2,1-5H3
InChIKeyHFAQTSDOOAOXAB-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.65
Rot. Bonds8

About 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal

4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal (PubChem CID 174014215) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal.

Molecular Properties

Compound Name4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal
PubChem CID174014215
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal
SMILESCCC(C=O)CCC1CC(CCC=C(C)C)C(C)C1C
InChIInChI=1S/C19H34O/c1-6-17(13-20)10-11-19-12-18(15(4)16(19)5)9-7-8-14(2)3/h8,13,15-19H,6-7,9-12H2,1-5H3
InChIKeyHFAQTSDOOAOXAB-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal?
The IUPAC name of 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal (CID 174014215) is 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal.
What is the SMILES notation for 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal?
The canonical SMILES for 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal is CCC(C=O)CCC1CC(CCC=C(C)C)C(C)C1C.
What is the InChIKey of 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal?
The InChIKey is HFAQTSDOOAOXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-6-17(13-20)10-11-19-12-18(15(4)16(19)5)9-7-8-14(2)3/h8,13,15-19H,6-7,9-12H2,1-5H3.
What are the key properties of 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal?
4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal has a molecular weight of 278.48 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dimethyl-4-(4-methylpent-3-enyl)cyclopentyl]-2-ethylbutanal is sourced from PubChem (CID 174014215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).