4-dimethylphosphoryl-1-propan-2-ylcyclohexene

C11H21OP — CID 176651149

IUPAC4-dimethylphosphoryl-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCC(P(C)(C)=O)CC1
InChIInChI=1S/C11H21OP/c1-9(2)10-5-7-11(8-6-10)13(3,4)12/h5,9,11H,6-8H2,1-4H3
InChIKeyCBIWLTXSLWJJIG-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.74
Rot. Bonds2

About 4-dimethylphosphoryl-1-propan-2-ylcyclohexene

4-dimethylphosphoryl-1-propan-2-ylcyclohexene (PubChem CID 176651149) has the molecular formula C11H21OP and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-dimethylphosphoryl-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name4-dimethylphosphoryl-1-propan-2-ylcyclohexene
PubChem CID176651149
Molecular FormulaC11H21OP
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name4-dimethylphosphoryl-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CCC(P(C)(C)=O)CC1
InChIInChI=1S/C11H21OP/c1-9(2)10-5-7-11(8-6-10)13(3,4)12/h5,9,11H,6-8H2,1-4H3
InChIKeyCBIWLTXSLWJJIG-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphoryl-1-propan-2-ylcyclohexene?
The IUPAC name of 4-dimethylphosphoryl-1-propan-2-ylcyclohexene (CID 176651149) is 4-dimethylphosphoryl-1-propan-2-ylcyclohexene.
What is the SMILES notation for 4-dimethylphosphoryl-1-propan-2-ylcyclohexene?
The canonical SMILES for 4-dimethylphosphoryl-1-propan-2-ylcyclohexene is CC(C)C1=CCC(P(C)(C)=O)CC1.
What is the InChIKey of 4-dimethylphosphoryl-1-propan-2-ylcyclohexene?
The InChIKey is CBIWLTXSLWJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OP/c1-9(2)10-5-7-11(8-6-10)13(3,4)12/h5,9,11H,6-8H2,1-4H3.
What are the key properties of 4-dimethylphosphoryl-1-propan-2-ylcyclohexene?
4-dimethylphosphoryl-1-propan-2-ylcyclohexene has a molecular weight of 200.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphoryl-1-propan-2-ylcyclohexene is sourced from PubChem (CID 176651149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).