1-(3,4-dimethylphenyl)ethylidenephosphane;pentane

C15H25P — CID 142857882

IUPAC1-(3,4-dimethylphenyl)ethylidenephosphane;pentane
SMILESCCCCC.[H]/P=C(\C)c1ccc(C)c(C)c1
InChIInChI=1S/C10H13P.C5H12/c1-7-4-5-10(9(3)11)6-8(7)2;1-3-5-4-2/h4-6,11H,1-3H3;3-5H2,1-2H3
InChIKeyUILKUIIPXWDBKK-UHFFFAOYSA-N
MW236.34 g/mol
LogP5.18
Rot. Bonds3

About 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane

1-(3,4-dimethylphenyl)ethylidenephosphane;pentane (PubChem CID 142857882) has the molecular formula C15H25P and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)ethylidenephosphane;pentane
PubChem CID142857882
Molecular FormulaC15H25P
Molecular Weight236.34 g/mol
Exact Mass236.17
IUPAC Name1-(3,4-dimethylphenyl)ethylidenephosphane;pentane
SMILESCCCCC.[H]/P=C(\C)c1ccc(C)c(C)c1
InChIInChI=1S/C10H13P.C5H12/c1-7-4-5-10(9(3)11)6-8(7)2;1-3-5-4-2/h4-6,11H,1-3H3;3-5H2,1-2H3
InChIKeyUILKUIIPXWDBKK-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.34
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane 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

N-hexyl-3,4-dimethylbenzamide
CID 4523484
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
N'-butyl-3,4-dimethylbenzohydrazide
CID 162213335
1-(3,4-dimethylbenzoyl)peroxypentyl 3,4-dimethylbenzenecarboperoxoate
CID 173266967
hexyl 3,4-dimethylbenzoate
CID 91752170
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
CID 94284352
(E)-1-(3,4-dimethylphenyl)-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]ethanimine
CID 177451441
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]pentanamide
CID 94266976
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane?
The IUPAC name of 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane (CID 142857882) is 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane.
What is the SMILES notation for 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane?
The canonical SMILES for 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane is CCCCC.[H]/P=C(\C)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane?
The InChIKey is UILKUIIPXWDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13P.C5H12/c1-7-4-5-10(9(3)11)6-8(7)2;1-3-5-4-2/h4-6,11H,1-3H3;3-5H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane?
1-(3,4-dimethylphenyl)ethylidenephosphane;pentane has a molecular weight of 236.34 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)ethylidenephosphane;pentane is sourced from PubChem (CID 142857882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).