4-methyl-3-pent-1-enyldecan-2-one

C16H30O — CID 163796188

IUPAC4-methyl-3-pent-1-enyldecan-2-one
SMILESCCCC=CC(C(C)=O)C(C)CCCCCC
InChIInChI=1S/C16H30O/c1-5-7-9-11-12-14(3)16(15(4)17)13-10-8-6-2/h10,13-14,16H,5-9,11-12H2,1-4H3
InChIKeyNAYZDWPGBNGZHB-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.15
Rot. Bonds10

About 4-methyl-3-pent-1-enyldecan-2-one

4-methyl-3-pent-1-enyldecan-2-one (PubChem CID 163796188) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-methyl-3-pent-1-enyldecan-2-one.

Molecular Properties

Compound Name4-methyl-3-pent-1-enyldecan-2-one
PubChem CID163796188
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-methyl-3-pent-1-enyldecan-2-one
SMILESCCCC=CC(C(C)=O)C(C)CCCCCC
InChIInChI=1S/C16H30O/c1-5-7-9-11-12-14(3)16(15(4)17)13-10-8-6-2/h10,13-14,16H,5-9,11-12H2,1-4H3
InChIKeyNAYZDWPGBNGZHB-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-3-pent-1-enyldecan-2-one 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

9-hexan-2-ylpentadec-7-ene
CID 57270482
8,9-dimethyltetradec-4-ene
CID 123353061
3-pentylnonan-2-one
CID 21290467
3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
3-butylundecan-2-one
CID 10922232
[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
(2R)-2-[(E,1S)-1-hydroxyhex-2-enyl]decanal
CID 10800967
6-methyltetracos-4-enoic acid
CID 173102051
(Z)-2-dodecan-2-yloctadec-9-enoic acid
CID 175593918
9,10-dioctyloctadeca-7,11-diene
CID 173120989

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pent-1-enyldecan-2-one?
The IUPAC name of 4-methyl-3-pent-1-enyldecan-2-one (CID 163796188) is 4-methyl-3-pent-1-enyldecan-2-one.
What is the SMILES notation for 4-methyl-3-pent-1-enyldecan-2-one?
The canonical SMILES for 4-methyl-3-pent-1-enyldecan-2-one is CCCC=CC(C(C)=O)C(C)CCCCCC.
What is the InChIKey of 4-methyl-3-pent-1-enyldecan-2-one?
The InChIKey is NAYZDWPGBNGZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-5-7-9-11-12-14(3)16(15(4)17)13-10-8-6-2/h10,13-14,16H,5-9,11-12H2,1-4H3.
What are the key properties of 4-methyl-3-pent-1-enyldecan-2-one?
4-methyl-3-pent-1-enyldecan-2-one has a molecular weight of 238.41 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pent-1-enyldecan-2-one is sourced from PubChem (CID 163796188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).