1-butoxy-3-methyl-1λ5-phospholane 1-oxide

C9H19O2P — CID 102203784

IUPAC1-butoxy-3-methyl-1λ5-phospholane 1-oxide
SMILESCCCCOP1(=O)CCC(C)C1
InChIInChI=1S/C9H19O2P/c1-3-4-6-11-12(10)7-5-9(2)8-12/h9H,3-8H2,1-2H3
InChIKeyVKELTLZFVXKGKS-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.12
Rot. Bonds4

About 1-butoxy-3-methyl-1λ5-phospholane 1-oxide

1-butoxy-3-methyl-1λ5-phospholane 1-oxide (PubChem CID 102203784) has the molecular formula C9H19O2P and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-butoxy-3-methyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name1-butoxy-3-methyl-1λ5-phospholane 1-oxide
PubChem CID102203784
Molecular FormulaC9H19O2P
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name1-butoxy-3-methyl-1λ5-phospholane 1-oxide
SMILESCCCCOP1(=O)CCC(C)C1
InChIInChI=1S/C9H19O2P/c1-3-4-6-11-12(10)7-5-9(2)8-12/h9H,3-8H2,1-2H3
InChIKeyVKELTLZFVXKGKS-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Phosphonic acid, methyl-, bis(3-methylbutyl) ester
CID 520135
Propylphosphonic acid, fluoroanhydride, 3-methylbutyl ester
CID 581334
2-Diethoxyphosphoryl-3-methylbutane
CID 10889111
Diethyl (3-methylbutyl)phosphonate
CID 13736849
1-[Bis(2-methylpropyl)phosphoryloxy]-2-methylpropane
CID 87129558
Propylphosphonic acid, fluoroanhydride, 2-methylbutyl ester
CID 581338
3-Methyl-1-[3-methylbutoxy(propyl)phosphoryl]oxybutane
CID 90428993
2-Methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
1-Butoxy-3,4-dimethyl-1lambda5-phospholane 1-oxide
CID 102203785
2-Methylbutyl P-(1-methylethyl)phosphonofluoridate
CID 170851028
3-Methylbutyl P-(1-methylethyl)phosphonofluoridate
CID 170851029
1-[Ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-methyl-1λ5-phospholane 1-oxide?
The IUPAC name of 1-butoxy-3-methyl-1λ5-phospholane 1-oxide (CID 102203784) is 1-butoxy-3-methyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 1-butoxy-3-methyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 1-butoxy-3-methyl-1λ5-phospholane 1-oxide is CCCCOP1(=O)CCC(C)C1.
What is the InChIKey of 1-butoxy-3-methyl-1λ5-phospholane 1-oxide?
The InChIKey is VKELTLZFVXKGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2P/c1-3-4-6-11-12(10)7-5-9(2)8-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-butoxy-3-methyl-1λ5-phospholane 1-oxide?
1-butoxy-3-methyl-1λ5-phospholane 1-oxide has a molecular weight of 190.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-methyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 102203784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).