7-methyl-1-phosphorosooctane

C9H19OP — CID 162721813

IUPAC7-methyl-1-phosphorosooctane
SMILESCC(C)CCCCCCP=O
InChIInChI=1S/C9H19OP/c1-9(2)7-5-3-4-6-8-11-10/h9H,3-8H2,1-2H3
InChIKeyNCFOTCWJBJNICR-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.88
Rot. Bonds7

About 7-methyl-1-phosphorosooctane

7-methyl-1-phosphorosooctane (PubChem CID 162721813) has the molecular formula C9H19OP and a molecular weight of 174.22 g/mol. Its IUPAC name is 7-methyl-1-phosphorosooctane.

Molecular Properties

Compound Name7-methyl-1-phosphorosooctane
PubChem CID162721813
Molecular FormulaC9H19OP
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name7-methyl-1-phosphorosooctane
SMILESCC(C)CCCCCCP=O
InChIInChI=1S/C9H19OP/c1-9(2)7-5-3-4-6-8-11-10/h9H,3-8H2,1-2H3
InChIKeyNCFOTCWJBJNICR-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-methyl-1-phosphorosooctane?
The IUPAC name of 7-methyl-1-phosphorosooctane (CID 162721813) is 7-methyl-1-phosphorosooctane.
What is the SMILES notation for 7-methyl-1-phosphorosooctane?
The canonical SMILES for 7-methyl-1-phosphorosooctane is CC(C)CCCCCCP=O.
What is the InChIKey of 7-methyl-1-phosphorosooctane?
The InChIKey is NCFOTCWJBJNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19OP/c1-9(2)7-5-3-4-6-8-11-10/h9H,3-8H2,1-2H3.
What are the key properties of 7-methyl-1-phosphorosooctane?
7-methyl-1-phosphorosooctane has a molecular weight of 174.22 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phosphorosooctane is sourced from PubChem (CID 162721813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).