1-(2-methylpropyl)-1λ5-phosphepane 1-oxide

C10H21OP — CID 23117428

IUPAC1-(2-methylpropyl)-1λ5-phosphepane 1-oxide
SMILESCC(C)CP1(=O)CCCCCC1
InChIInChI=1S/C10H21OP/c1-10(2)9-12(11)7-5-3-4-6-8-12/h10H,3-9H2,1-2H3
InChIKeyRRSAGFKZNFYVLA-UHFFFAOYSA-N
MW188.25 g/mol
LogP3.58
Rot. Bonds2

About 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide

1-(2-methylpropyl)-1λ5-phosphepane 1-oxide (PubChem CID 23117428) has the molecular formula C10H21OP and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide.

Molecular Properties

Compound Name1-(2-methylpropyl)-1λ5-phosphepane 1-oxide
PubChem CID23117428
Molecular FormulaC10H21OP
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-(2-methylpropyl)-1λ5-phosphepane 1-oxide
SMILESCC(C)CP1(=O)CCCCCC1
InChIInChI=1S/C10H21OP/c1-10(2)9-12(11)7-5-3-4-6-8-12/h10H,3-9H2,1-2H3
InChIKeyRRSAGFKZNFYVLA-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.58
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-(2-methylpropyl)-1λ5-phosphepane 1-oxide?
The IUPAC name of 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide (CID 23117428) is 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide.
What is the SMILES notation for 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide?
The canonical SMILES for 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide is CC(C)CP1(=O)CCCCCC1.
What is the InChIKey of 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide?
The InChIKey is RRSAGFKZNFYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21OP/c1-10(2)9-12(11)7-5-3-4-6-8-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide?
1-(2-methylpropyl)-1λ5-phosphepane 1-oxide has a molecular weight of 188.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1λ5-phosphepane 1-oxide is sourced from PubChem (CID 23117428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).