1-phosphorosopentane;1,3,5-trimethylbenzene

C14H23OP — CID 175057624

IUPAC1-phosphorosopentane;1,3,5-trimethylbenzene
SMILESCCCCCP=O.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C5H11OP/c1-7-4-8(2)6-9(3)5-7;1-2-3-4-5-7-6/h4-6H,1-3H3;2-5H2,1H3
InChIKeyVXATZZLECUYUJP-UHFFFAOYSA-N
MW238.31 g/mol
LogP5.08
Rot. Bonds4

About 1-phosphorosopentane;1,3,5-trimethylbenzene

1-phosphorosopentane;1,3,5-trimethylbenzene (PubChem CID 175057624) has the molecular formula C14H23OP and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-phosphorosopentane;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-phosphorosopentane;1,3,5-trimethylbenzene
PubChem CID175057624
Molecular FormulaC14H23OP
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-phosphorosopentane;1,3,5-trimethylbenzene
SMILESCCCCCP=O.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C5H11OP/c1-7-4-8(2)6-9(3)5-7;1-2-3-4-5-7-6/h4-6H,1-3H3;2-5H2,1H3
InChIKeyVXATZZLECUYUJP-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phosphorosopentane;1,3-xylene
CID 174843053
methanamine;1-phosphorosopentane
CID 174435615
1-[butyl-(3,5-dimethylphenyl)phosphoryl]-3,5-dimethylbenzene
CID 175050086
1,3-dimethyl-5-pentylsulfanylbenzene
CID 129164291
formaldehyde;hexane;1,4-xylene
CID 143308406
1,3-difluoro-2,5-dimethylbenzene;hexane
CID 144528127
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-butyl-3,5-dimethylpyridin-1-ium;trihydrobromide
CID 174818728
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosopentane;1,3,5-trimethylbenzene?
The IUPAC name of 1-phosphorosopentane;1,3,5-trimethylbenzene (CID 175057624) is 1-phosphorosopentane;1,3,5-trimethylbenzene.
What is the SMILES notation for 1-phosphorosopentane;1,3,5-trimethylbenzene?
The canonical SMILES for 1-phosphorosopentane;1,3,5-trimethylbenzene is CCCCCP=O.Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-phosphorosopentane;1,3,5-trimethylbenzene?
The InChIKey is VXATZZLECUYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H11OP/c1-7-4-8(2)6-9(3)5-7;1-2-3-4-5-7-6/h4-6H,1-3H3;2-5H2,1H3.
What are the key properties of 1-phosphorosopentane;1,3,5-trimethylbenzene?
1-phosphorosopentane;1,3,5-trimethylbenzene has a molecular weight of 238.31 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosopentane;1,3,5-trimethylbenzene is sourced from PubChem (CID 175057624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).