5-methyl-2-(4-methylpentyl)oct-2-enal

C15H28O — CID 57062891

IUPAC5-methyl-2-(4-methylpentyl)oct-2-enal
SMILESCCCC(C)CC=C(C=O)CCCC(C)C
InChIInChI=1S/C15H28O/c1-5-7-14(4)10-11-15(12-16)9-6-8-13(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBOVVLCPPIOHWDW-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.76
Rot. Bonds9

About 5-methyl-2-(4-methylpentyl)oct-2-enal

5-methyl-2-(4-methylpentyl)oct-2-enal (PubChem CID 57062891) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-methyl-2-(4-methylpentyl)oct-2-enal.

Molecular Properties

Compound Name5-methyl-2-(4-methylpentyl)oct-2-enal
PubChem CID57062891
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name5-methyl-2-(4-methylpentyl)oct-2-enal
SMILESCCCC(C)CC=C(C=O)CCCC(C)C
InChIInChI=1S/C15H28O/c1-5-7-14(4)10-11-15(12-16)9-6-8-13(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBOVVLCPPIOHWDW-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methyl-2-(4-methylpentyl)oct-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-methyl-2-(3-methylbutyl)oct-2-enal
CID 18603335
5-methyl-2-propylhex-2-enedial
CID 175380332
2-(2-methylpentyl)oct-2-enal
CID 54262273
2,3,7,11-tetramethyldodec-2-enal
CID 142762169
2-methylhexane;3-methylhexane
CID 123646192
2-methylundecan-6-one
CID 86122551
6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one
CID 139998284
2,5-dimethylheptadec-2-enoic acid
CID 54050790
(5S)-2-butyl-5-methyl-7-oxohept-2-enoic acid
CID 90700228
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
6-methyl-2-methylidenenonanoic acid
CID 54193613

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylpentyl)oct-2-enal?
The IUPAC name of 5-methyl-2-(4-methylpentyl)oct-2-enal (CID 57062891) is 5-methyl-2-(4-methylpentyl)oct-2-enal.
What is the SMILES notation for 5-methyl-2-(4-methylpentyl)oct-2-enal?
The canonical SMILES for 5-methyl-2-(4-methylpentyl)oct-2-enal is CCCC(C)CC=C(C=O)CCCC(C)C.
What is the InChIKey of 5-methyl-2-(4-methylpentyl)oct-2-enal?
The InChIKey is BOVVLCPPIOHWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-7-14(4)10-11-15(12-16)9-6-8-13(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-methyl-2-(4-methylpentyl)oct-2-enal?
5-methyl-2-(4-methylpentyl)oct-2-enal has a molecular weight of 224.39 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylpentyl)oct-2-enal is sourced from PubChem (CID 57062891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).