deuteriomethyl-dodecyl-methylphosphane

C14H31P — CID 162415036

IUPACdeuteriomethyl-dodecyl-methylphosphane
SMILES[2H]CP(C)CCCCCCCCCCCC
InChIInChI=1S/C14H31P/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3/i2D
InChIKeyRIXFPXRYYYJJKF-VMNATFBRSA-N
MW231.38 g/mol
LogP5.65
Rot. Bonds12

About deuteriomethyl-dodecyl-methylphosphane

deuteriomethyl-dodecyl-methylphosphane (PubChem CID 162415036) has the molecular formula C14H31P and a molecular weight of 231.38 g/mol. Its IUPAC name is deuteriomethyl-dodecyl-methylphosphane.

Molecular Properties

Compound Namedeuteriomethyl-dodecyl-methylphosphane
PubChem CID162415036
Molecular FormulaC14H31P
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Namedeuteriomethyl-dodecyl-methylphosphane
SMILES[2H]CP(C)CCCCCCCCCCCC
InChIInChI=1S/C14H31P/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3/i2D
InChIKeyRIXFPXRYYYJJKF-VMNATFBRSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.65
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

heptyl(dimethyl)phosphane
CID 18386855
hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
tetrakis(dodecyl(dimethyl)phosphane);nickel
CID 161299550
methyl-di(tetradecyl)phosphane
CID 89485367
hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718
bismuthane;trioctylphosphane
CID 174398286
octacosane;sulfane
CID 157204687
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
CID 23501422
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377

Frequently Asked Questions

What is the IUPAC name of deuteriomethyl-dodecyl-methylphosphane?
The IUPAC name of deuteriomethyl-dodecyl-methylphosphane (CID 162415036) is deuteriomethyl-dodecyl-methylphosphane.
What is the SMILES notation for deuteriomethyl-dodecyl-methylphosphane?
The canonical SMILES for deuteriomethyl-dodecyl-methylphosphane is [2H]CP(C)CCCCCCCCCCCC.
What is the InChIKey of deuteriomethyl-dodecyl-methylphosphane?
The InChIKey is RIXFPXRYYYJJKF-VMNATFBRSA-N. The full InChI is InChI=1S/C14H31P/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3/i2D.
What are the key properties of deuteriomethyl-dodecyl-methylphosphane?
deuteriomethyl-dodecyl-methylphosphane has a molecular weight of 231.38 g/mol, XLogP of 5.65, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethyl-dodecyl-methylphosphane is sourced from PubChem (CID 162415036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).