[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane

C14H31P — CID 139294709

IUPAC[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane
SMILESCCCC(C)C(CC(C)C)C(P)C(C)C
InChIInChI=1S/C14H31P/c1-7-8-12(6)13(9-10(2)3)14(15)11(4)5/h10-14H,7-9,15H2,1-6H3
InChIKeyFHZQIYZQUXBPHP-UHFFFAOYSA-N
MW230.38 g/mol
LogP4.98
Rot. Bonds7

About [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane

[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane (PubChem CID 139294709) has the molecular formula C14H31P and a molecular weight of 230.38 g/mol. Its IUPAC name is [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane.

Molecular Properties

Compound Name[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane
PubChem CID139294709
Molecular FormulaC14H31P
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Name[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane
SMILESCCCC(C)C(CC(C)C)C(P)C(C)C
InChIInChI=1S/C14H31P/c1-7-8-12(6)13(9-10(2)3)14(15)11(4)5/h10-14H,7-9,15H2,1-6H3
InChIKeyFHZQIYZQUXBPHP-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 54.98
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

2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
2,5-dimethyl-4-propyloctane
CID 57491236
6-butan-2-yl-4-ethyl-2,7-dimethyldecane
CID 57320369
2-methyl-4-propan-2-ylheptane
CID 21201044
2,4,6-trimethylnonan-5-ol
CID 156689482
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
methane;2-methylpentane;propane
CID 161026516
pentan-2-ylphosphane
CID 22981481
5,7-dimethyloctan-4-amine
CID 83047107
2-methylhexan-3-ylphosphane;dihydrochloride
CID 88799902

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane?
The IUPAC name of [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane (CID 139294709) is [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane.
What is the SMILES notation for [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane?
The canonical SMILES for [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane is CCCC(C)C(CC(C)C)C(P)C(C)C.
What is the InChIKey of [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane?
The InChIKey is FHZQIYZQUXBPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P/c1-7-8-12(6)13(9-10(2)3)14(15)11(4)5/h10-14H,7-9,15H2,1-6H3.
What are the key properties of [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane?
[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane has a molecular weight of 230.38 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane is sourced from PubChem (CID 139294709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).