4,4-dimethyl-2-phosphorosopent-2-ene

C7H13OP — CID 57008494

IUPAC4,4-dimethyl-2-phosphorosopent-2-ene
SMILESCC(=CC(C)(C)C)P=O
InChIInChI=1S/C7H13OP/c1-6(9-8)5-7(2,3)4/h5H,1-4H3
InChIKeyMBGWNPXBBHDEIT-UHFFFAOYSA-N
MW144.15 g/mol
LogP3.23
Rot. Bonds1

About 4,4-dimethyl-2-phosphorosopent-2-ene

4,4-dimethyl-2-phosphorosopent-2-ene (PubChem CID 57008494) has the molecular formula C7H13OP and a molecular weight of 144.15 g/mol. Its IUPAC name is 4,4-dimethyl-2-phosphorosopent-2-ene.

Molecular Properties

Compound Name4,4-dimethyl-2-phosphorosopent-2-ene
PubChem CID57008494
Molecular FormulaC7H13OP
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name4,4-dimethyl-2-phosphorosopent-2-ene
SMILESCC(=CC(C)(C)C)P=O
InChIInChI=1S/C7H13OP/c1-6(9-8)5-7(2,3)4/h5H,1-4H3
InChIKeyMBGWNPXBBHDEIT-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phosphorosopent-2-ene?
The IUPAC name of 4,4-dimethyl-2-phosphorosopent-2-ene (CID 57008494) is 4,4-dimethyl-2-phosphorosopent-2-ene.
What is the SMILES notation for 4,4-dimethyl-2-phosphorosopent-2-ene?
The canonical SMILES for 4,4-dimethyl-2-phosphorosopent-2-ene is CC(=CC(C)(C)C)P=O.
What is the InChIKey of 4,4-dimethyl-2-phosphorosopent-2-ene?
The InChIKey is MBGWNPXBBHDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13OP/c1-6(9-8)5-7(2,3)4/h5H,1-4H3.
What are the key properties of 4,4-dimethyl-2-phosphorosopent-2-ene?
4,4-dimethyl-2-phosphorosopent-2-ene has a molecular weight of 144.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phosphorosopent-2-ene is sourced from PubChem (CID 57008494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).