1-methylphosphocane

C8H17P — CID 129069924

IUPAC1-methylphosphocane
SMILESCP1CCCCCCC1
InChIInChI=1S/C8H17P/c1-9-7-5-3-2-4-6-8-9/h2-8H2,1H3
InChIKeyRNZRQXGGANERTR-UHFFFAOYSA-N
MW144.20 g/mol
LogP3.06
Rot. Bonds

About 1-methylphosphocane

1-methylphosphocane (PubChem CID 129069924) has the molecular formula C8H17P and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-methylphosphocane.

Molecular Properties

Compound Name1-methylphosphocane
PubChem CID129069924
Molecular FormulaC8H17P
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Name1-methylphosphocane
SMILESCP1CCCCCCC1
InChIInChI=1S/C8H17P/c1-9-7-5-3-2-4-6-8-9/h2-8H2,1H3
InChIKeyRNZRQXGGANERTR-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Dimethylhexylphosphine
CID 18386879
Dimethyl(octyl)phosphane
CID 23002955
Dimethyldecylphosphine
CID 23414235
Dodecyl(dimethyl)phosphane
CID 23414236
Ethyl(heptyl)phosphine
CID 24975693
Decyl(trimethyl)phosphanium
CID 20320829
Deuteriomethyl-dodecyl-methylphosphane
CID 162415036
Diheptylphosphane
CID 14747428
Decyl(diethyl)phosphane
CID 14962377
Trimethyl(octyl)phosphanium
CID 17843847
Heptyl(dimethyl)phosphane
CID 18386855
Diethyl(octyl)phosphane
CID 18955175

Frequently Asked Questions

What is the IUPAC name of 1-methylphosphocane?
The IUPAC name of 1-methylphosphocane (CID 129069924) is 1-methylphosphocane.
What is the SMILES notation for 1-methylphosphocane?
The canonical SMILES for 1-methylphosphocane is CP1CCCCCCC1.
What is the InChIKey of 1-methylphosphocane?
The InChIKey is RNZRQXGGANERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17P/c1-9-7-5-3-2-4-6-8-9/h2-8H2,1H3.
What are the key properties of 1-methylphosphocane?
1-methylphosphocane has a molecular weight of 144.20 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylphosphocane is sourced from PubChem (CID 129069924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).