1-butoxy-1λ5-phospholane 1-oxide

C8H17O2P — CID 23415784

IUPAC1-butoxy-1λ5-phospholane 1-oxide
SMILESCCCCOP1(=O)CCCC1
InChIInChI=1S/C8H17O2P/c1-2-3-6-10-11(9)7-4-5-8-11/h2-8H2,1H3
InChIKeyKNTGKFQQBJOIBZ-UHFFFAOYSA-N
MW176.20 g/mol
LogP2.88
Rot. Bonds4

About 1-butoxy-1λ5-phospholane 1-oxide

1-butoxy-1λ5-phospholane 1-oxide (PubChem CID 23415784) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-butoxy-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name1-butoxy-1λ5-phospholane 1-oxide
PubChem CID23415784
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name1-butoxy-1λ5-phospholane 1-oxide
SMILESCCCCOP1(=O)CCCC1
InChIInChI=1S/C8H17O2P/c1-2-3-6-10-11(9)7-4-5-8-11/h2-8H2,1H3
InChIKeyKNTGKFQQBJOIBZ-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 52.88
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-1λ5-phospholane 1-oxide?
The IUPAC name of 1-butoxy-1λ5-phospholane 1-oxide (CID 23415784) is 1-butoxy-1λ5-phospholane 1-oxide.
What is the SMILES notation for 1-butoxy-1λ5-phospholane 1-oxide?
The canonical SMILES for 1-butoxy-1λ5-phospholane 1-oxide is CCCCOP1(=O)CCCC1.
What is the InChIKey of 1-butoxy-1λ5-phospholane 1-oxide?
The InChIKey is KNTGKFQQBJOIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-2-3-6-10-11(9)7-4-5-8-11/h2-8H2,1H3.
What are the key properties of 1-butoxy-1λ5-phospholane 1-oxide?
1-butoxy-1λ5-phospholane 1-oxide has a molecular weight of 176.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1λ5-phospholane 1-oxide is sourced from PubChem (CID 23415784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).