methyl-di(tetradecyl)phosphane

C29H61P — CID 89485367

IUPACmethyl-di(tetradecyl)phosphane
SMILESCCCCCCCCCCCCCCP(C)CCCCCCCCCCCCCC
InChIInChI=1S/C29H61P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-29H2,1-3H3
InChIKeyQNRSIOBQZKUEKP-UHFFFAOYSA-N
MW440.78 g/mol
LogP11.50
Rot. Bonds26

About methyl-di(tetradecyl)phosphane

methyl-di(tetradecyl)phosphane (PubChem CID 89485367) has the molecular formula C29H61P and a molecular weight of 440.78 g/mol. Its IUPAC name is methyl-di(tetradecyl)phosphane.

Molecular Properties

Compound Namemethyl-di(tetradecyl)phosphane
PubChem CID89485367
Molecular FormulaC29H61P
Molecular Weight440.78 g/mol
Exact Mass440.45
IUPAC Namemethyl-di(tetradecyl)phosphane
SMILESCCCCCCCCCCCCCCP(C)CCCCCCCCCCCCCC
InChIInChI=1S/C29H61P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-29H2,1-3H3
InChIKeyQNRSIOBQZKUEKP-UHFFFAOYSA-N
XLogP11.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 511.50
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

hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718
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 methyl-di(tetradecyl)phosphane?
The IUPAC name of methyl-di(tetradecyl)phosphane (CID 89485367) is methyl-di(tetradecyl)phosphane.
What is the SMILES notation for methyl-di(tetradecyl)phosphane?
The canonical SMILES for methyl-di(tetradecyl)phosphane is CCCCCCCCCCCCCCP(C)CCCCCCCCCCCCCC.
What is the InChIKey of methyl-di(tetradecyl)phosphane?
The InChIKey is QNRSIOBQZKUEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-29H2,1-3H3.
What are the key properties of methyl-di(tetradecyl)phosphane?
methyl-di(tetradecyl)phosphane has a molecular weight of 440.78 g/mol, XLogP of 11.50, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(tetradecyl)phosphane is sourced from PubChem (CID 89485367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).