heptyl(dimethyl)phosphane

C9H21P — CID 18386855

IUPACheptyl(dimethyl)phosphane
SMILESCCCCCCCP(C)C
InChIInChI=1S/C9H21P/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3
InChIKeyQIKBTUXAXBJXEB-UHFFFAOYSA-N
MW160.24 g/mol
LogP3.70
Rot. Bonds6

About heptyl(dimethyl)phosphane

heptyl(dimethyl)phosphane (PubChem CID 18386855) has the molecular formula C9H21P and a molecular weight of 160.24 g/mol. Its IUPAC name is heptyl(dimethyl)phosphane.

Molecular Properties

Compound Nameheptyl(dimethyl)phosphane
PubChem CID18386855
Molecular FormulaC9H21P
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Nameheptyl(dimethyl)phosphane
SMILESCCCCCCCP(C)C
InChIInChI=1S/C9H21P/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3
InChIKeyQIKBTUXAXBJXEB-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 53.70
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

hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
tetrakis(dodecyl(dimethyl)phosphane);nickel
CID 161299550
deuteriomethyl-dodecyl-methylphosphane
CID 162415036
methyl-di(tetradecyl)phosphane
CID 89485367
hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
octacosane;sulfane
CID 157204687
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
CID 23501422
chloro-hexyl-tetradecylphosphane
CID 141135276

Frequently Asked Questions

What is the IUPAC name of heptyl(dimethyl)phosphane?
The IUPAC name of heptyl(dimethyl)phosphane (CID 18386855) is heptyl(dimethyl)phosphane.
What is the SMILES notation for heptyl(dimethyl)phosphane?
The canonical SMILES for heptyl(dimethyl)phosphane is CCCCCCCP(C)C.
What is the InChIKey of heptyl(dimethyl)phosphane?
The InChIKey is QIKBTUXAXBJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3.
What are the key properties of heptyl(dimethyl)phosphane?
heptyl(dimethyl)phosphane has a molecular weight of 160.24 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl(dimethyl)phosphane is sourced from PubChem (CID 18386855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).