methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane

C14H31P — CID 123427716

IUPACmethyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
SMILESCCCCC(CCC)P(C)C(C)(C)CC
InChIInChI=1S/C14H31P/c1-7-10-12-13(11-8-2)15(6)14(4,5)9-3/h13H,7-12H2,1-6H3
InChIKeyHTWMLJGURARLFA-UHFFFAOYSA-N
MW230.38 g/mol
LogP5.65
Rot. Bonds8

About methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane

methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane (PubChem CID 123427716) has the molecular formula C14H31P and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane.

Molecular Properties

Compound Namemethyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
PubChem CID123427716
Molecular FormulaC14H31P
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Namemethyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
SMILESCCCCC(CCC)P(C)C(C)(C)CC
InChIInChI=1S/C14H31P/c1-7-10-12-13(11-8-2)15(6)14(4,5)9-3/h13H,7-12H2,1-6H3
InChIKeyHTWMLJGURARLFA-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.38
LogP ≤ 55.65
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

methyl-di(octan-4-yl)phosphane
CID 22497740
diethyl(octan-4-yl)phosphane
CID 150705111
ethyl-di(octan-4-yl)phosphane
CID 22497528
3,3-dimethyl-4-propyloctane
CID 57491237
tetrabutylphosphanium;tin(4+)
CID 160650774
dihexyl(nonan-4-yl)phosphane
CID 172773657
3,3-dimethylpentane;2-methylhexane
CID 158289309
3-ethylpentan-3-ylphosphane;tetrabutylphosphanium
CID 88610668
(R)-hexan-2-yl-methyl-propylphosphane
CID 88871089
5-butyl-3,3-dimethylnonane
CID 123518865
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane?
The IUPAC name of methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane (CID 123427716) is methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane.
What is the SMILES notation for methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane?
The canonical SMILES for methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane is CCCCC(CCC)P(C)C(C)(C)CC.
What is the InChIKey of methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane?
The InChIKey is HTWMLJGURARLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P/c1-7-10-12-13(11-8-2)15(6)14(4,5)9-3/h13H,7-12H2,1-6H3.
What are the key properties of methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane?
methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane has a molecular weight of 230.38 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane is sourced from PubChem (CID 123427716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).