1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane

C17H31P — CID 143738826

IUPAC1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
SMILESC=C(C)PC.CC.CCc1ccc(C)cc1CC
InChIInChI=1S/C11H16.C4H9P.C2H6/c1-4-10-7-6-9(3)8-11(10)5-2;1-4(2)5-3;1-2/h6-8H,4-5H2,1-3H3;5H,1H2,2-3H3;1-2H3
InChIKeyXXPREISZLHFQOM-UHFFFAOYSA-N
MW266.41 g/mol
LogP5.97
Rot. Bonds3

About 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane

1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane (PubChem CID 143738826) has the molecular formula C17H31P and a molecular weight of 266.41 g/mol. Its IUPAC name is 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane.

Molecular Properties

Compound Name1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
PubChem CID143738826
Molecular FormulaC17H31P
Molecular Weight266.41 g/mol
Exact Mass266.22
IUPAC Name1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
SMILESC=C(C)PC.CC.CCc1ccc(C)cc1CC
InChIInChI=1S/C11H16.C4H9P.C2H6/c1-4-10-7-6-9(3)8-11(10)5-2;1-4(2)5-3;1-2/h6-8H,4-5H2,1-3H3;5H,1H2,2-3H3;1-2H3
InChIKeyXXPREISZLHFQOM-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane 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

1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
ethane;2-ethyl-5-methylphenol
CID 142001660
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
ethane;1-ethenyl-2-ethyl-7-methylnaphthalene
CID 142614708
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane?
The IUPAC name of 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane (CID 143738826) is 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane.
What is the SMILES notation for 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane?
The canonical SMILES for 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane is C=C(C)PC.CC.CCc1ccc(C)cc1CC.
What is the InChIKey of 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane?
The InChIKey is XXPREISZLHFQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C4H9P.C2H6/c1-4-10-7-6-9(3)8-11(10)5-2;1-4(2)5-3;1-2/h6-8H,4-5H2,1-3H3;5H,1H2,2-3H3;1-2H3.
What are the key properties of 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane?
1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane has a molecular weight of 266.41 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane is sourced from PubChem (CID 143738826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).