methyl-di(octan-4-yl)phosphane

C17H37P — CID 22497740

IUPACmethyl-di(octan-4-yl)phosphane
SMILESCCCCC(CCC)P(C)C(CCC)CCCC
InChIInChI=1S/C17H37P/c1-6-10-14-16(12-8-3)18(5)17(13-9-4)15-11-7-2/h16-17H,6-15H2,1-5H3
InChIKeyVIPDUXHNDAXVBZ-UHFFFAOYSA-N
MW272.46 g/mol
LogP6.82
Rot. Bonds12

About methyl-di(octan-4-yl)phosphane

methyl-di(octan-4-yl)phosphane (PubChem CID 22497740) has the molecular formula C17H37P and a molecular weight of 272.46 g/mol. Its IUPAC name is methyl-di(octan-4-yl)phosphane.

Molecular Properties

Compound Namemethyl-di(octan-4-yl)phosphane
PubChem CID22497740
Molecular FormulaC17H37P
Molecular Weight272.46 g/mol
Exact Mass272.26
IUPAC Namemethyl-di(octan-4-yl)phosphane
SMILESCCCCC(CCC)P(C)C(CCC)CCCC
InChIInChI=1S/C17H37P/c1-6-10-14-16(12-8-3)18(5)17(13-9-4)15-11-7-2/h16-17H,6-15H2,1-5H3
InChIKeyVIPDUXHNDAXVBZ-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.46
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl(octan-4-yl)phosphane
CID 150705111
ethyl-di(octan-4-yl)phosphane
CID 22497528
methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
CID 123427716
dihexyl(nonan-4-yl)phosphane
CID 172773657
dodecan-5-yl(dioctyl)phosphane
CID 172795592
tetrabutylphosphanium;tin(4+)
CID 160650774
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
3-aminopropyl(tributyl)phosphanium;hydrobromide
CID 175805466

Frequently Asked Questions

What is the IUPAC name of methyl-di(octan-4-yl)phosphane?
The IUPAC name of methyl-di(octan-4-yl)phosphane (CID 22497740) is methyl-di(octan-4-yl)phosphane.
What is the SMILES notation for methyl-di(octan-4-yl)phosphane?
The canonical SMILES for methyl-di(octan-4-yl)phosphane is CCCCC(CCC)P(C)C(CCC)CCCC.
What is the InChIKey of methyl-di(octan-4-yl)phosphane?
The InChIKey is VIPDUXHNDAXVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37P/c1-6-10-14-16(12-8-3)18(5)17(13-9-4)15-11-7-2/h16-17H,6-15H2,1-5H3.
What are the key properties of methyl-di(octan-4-yl)phosphane?
methyl-di(octan-4-yl)phosphane has a molecular weight of 272.46 g/mol, XLogP of 6.82, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(octan-4-yl)phosphane is sourced from PubChem (CID 22497740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).