1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide

C9H19OP — CID 59185560

IUPAC1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide
SMILESCC(C)C1CCP(C)(=O)CC1
InChIInChI=1S/C9H19OP/c1-8(2)9-4-6-11(3,10)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyDQKVAMPXCCZVNZ-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.05
Rot. Bonds1

About 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide

1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide (PubChem CID 59185560) has the molecular formula C9H19OP and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide
PubChem CID59185560
Molecular FormulaC9H19OP
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide
SMILESCC(C)C1CCP(C)(=O)CC1
InChIInChI=1S/C9H19OP/c1-8(2)9-4-6-11(3,10)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyDQKVAMPXCCZVNZ-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.05
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 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide?
The IUPAC name of 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide (CID 59185560) is 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide.
What is the SMILES notation for 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide?
The canonical SMILES for 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide is CC(C)C1CCP(C)(=O)CC1.
What is the InChIKey of 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide?
The InChIKey is DQKVAMPXCCZVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19OP/c1-8(2)9-4-6-11(3,10)7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide?
1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide has a molecular weight of 174.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-1λ5-phosphinane 1-oxide is sourced from PubChem (CID 59185560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).