diheptyl(methyl)phosphane

C15H33P — CID 22497718

IUPACdiheptyl(methyl)phosphane
SMILESCCCCCCCP(C)CCCCCCC
InChIInChI=1S/C15H33P/c1-4-6-8-10-12-14-16(3)15-13-11-9-7-5-2/h4-15H2,1-3H3
InChIKeyLASVOMFNNIOSAE-UHFFFAOYSA-N
MW244.40 g/mol
LogP6.04
Rot. Bonds12

About diheptyl(methyl)phosphane

diheptyl(methyl)phosphane (PubChem CID 22497718) has the molecular formula C15H33P and a molecular weight of 244.40 g/mol. Its IUPAC name is diheptyl(methyl)phosphane.

Molecular Properties

Compound Namediheptyl(methyl)phosphane
PubChem CID22497718
Molecular FormulaC15H33P
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Namediheptyl(methyl)phosphane
SMILESCCCCCCCP(C)CCCCCCC
InChIInChI=1S/C15H33P/c1-4-6-8-10-12-14-16(3)15-13-11-9-7-5-2/h4-15H2,1-3H3
InChIKeyLASVOMFNNIOSAE-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.40
LogP ≤ 56.04
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

methyl-di(tetradecyl)phosphane
CID 89485367
hexyl-methyl-octylphosphane
CID 22497581
hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
CID 23501422
heptyl(dimethyl)phosphane
CID 18386855
hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
tetrakis(dodecyl(dimethyl)phosphane);nickel
CID 161299550
octacosane;sulfane
CID 157204687
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dibutyl(decyl)phosphane
CID 171559269
chloro-hexyl-tetradecylphosphane
CID 141135276
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of diheptyl(methyl)phosphane?
The IUPAC name of diheptyl(methyl)phosphane (CID 22497718) is diheptyl(methyl)phosphane.
What is the SMILES notation for diheptyl(methyl)phosphane?
The canonical SMILES for diheptyl(methyl)phosphane is CCCCCCCP(C)CCCCCCC.
What is the InChIKey of diheptyl(methyl)phosphane?
The InChIKey is LASVOMFNNIOSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33P/c1-4-6-8-10-12-14-16(3)15-13-11-9-7-5-2/h4-15H2,1-3H3.
What are the key properties of diheptyl(methyl)phosphane?
diheptyl(methyl)phosphane has a molecular weight of 244.40 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diheptyl(methyl)phosphane is sourced from PubChem (CID 22497718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).