heptyl(methylphosphanyl)phosphane

C8H20P2 — CID 21095173

IUPACheptyl(methylphosphanyl)phosphane
SMILESCCCCCCCPPC
InChIInChI=1S/C8H20P2/c1-3-4-5-6-7-8-10-9-2/h9-10H,3-8H2,1-2H3
InChIKeyNWWVXMFWKURRMW-UHFFFAOYSA-N
MW178.20 g/mol
LogP3.86
Rot. Bonds7

About heptyl(methylphosphanyl)phosphane

heptyl(methylphosphanyl)phosphane (PubChem CID 21095173) has the molecular formula C8H20P2 and a molecular weight of 178.20 g/mol. Its IUPAC name is heptyl(methylphosphanyl)phosphane.

Molecular Properties

Compound Nameheptyl(methylphosphanyl)phosphane
PubChem CID21095173
Molecular FormulaC8H20P2
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Nameheptyl(methylphosphanyl)phosphane
SMILESCCCCCCCPPC
InChIInChI=1S/C8H20P2/c1-3-4-5-6-7-8-10-9-2/h9-10H,3-8H2,1-2H3
InChIKeyNWWVXMFWKURRMW-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
methyl(tetradecyl)phosphane
CID 88708624
methyl(nonyl)phosphane;thulium
CID 87745413
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of heptyl(methylphosphanyl)phosphane?
The IUPAC name of heptyl(methylphosphanyl)phosphane (CID 21095173) is heptyl(methylphosphanyl)phosphane.
What is the SMILES notation for heptyl(methylphosphanyl)phosphane?
The canonical SMILES for heptyl(methylphosphanyl)phosphane is CCCCCCCPPC.
What is the InChIKey of heptyl(methylphosphanyl)phosphane?
The InChIKey is NWWVXMFWKURRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20P2/c1-3-4-5-6-7-8-10-9-2/h9-10H,3-8H2,1-2H3.
What are the key properties of heptyl(methylphosphanyl)phosphane?
heptyl(methylphosphanyl)phosphane has a molecular weight of 178.20 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl(methylphosphanyl)phosphane is sourced from PubChem (CID 21095173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).