1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide

C10H21O2P — CID 102203785

IUPAC1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide
SMILESCCCCOP1(=O)CC(C)C(C)C1
InChIInChI=1S/C10H21O2P/c1-4-5-6-12-13(11)7-9(2)10(3)8-13/h9-10H,4-8H2,1-3H3
InChIKeyOPPOCLDVEPYXEO-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.37
Rot. Bonds4

About 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide

1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide (PubChem CID 102203785) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide
PubChem CID102203785
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Name1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide
SMILESCCCCOP1(=O)CC(C)C(C)C1
InChIInChI=1S/C10H21O2P/c1-4-5-6-12-13(11)7-9(2)10(3)8-13/h9-10H,4-8H2,1-3H3
InChIKeyOPPOCLDVEPYXEO-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide?
The IUPAC name of 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide (CID 102203785) is 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide is CCCCOP1(=O)CC(C)C(C)C1.
What is the InChIKey of 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide?
The InChIKey is OPPOCLDVEPYXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2P/c1-4-5-6-12-13(11)7-9(2)10(3)8-13/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide?
1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide has a molecular weight of 204.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3,4-dimethyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 102203785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).