methyl(3-methylpentan-2-yl)phosphane

C7H16P- — CID 90700211

IUPACmethyl(3-methylpentan-2-yl)phosphane
SMILESCCC(C)[C-](C)PC
InChIInChI=1S/C7H16P/c1-5-6(2)7(3)8-4/h6,8H,5H2,1-4H3/q-1
InChIKeyPCXYAGKCWISILJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.89
Rot. Bonds3

About methyl(3-methylpentan-2-yl)phosphane

methyl(3-methylpentan-2-yl)phosphane (PubChem CID 90700211) has the molecular formula C7H16P- and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl(3-methylpentan-2-yl)phosphane.

Molecular Properties

Compound Namemethyl(3-methylpentan-2-yl)phosphane
PubChem CID90700211
Molecular FormulaC7H16P-
Molecular Weight131.18 g/mol
Exact Mass131.10
IUPAC Namemethyl(3-methylpentan-2-yl)phosphane
SMILESCCC(C)[C-](C)PC
InChIInChI=1S/C7H16P/c1-5-6(2)7(3)8-4/h6,8H,5H2,1-4H3/q-1
InChIKeyPCXYAGKCWISILJ-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(3-methylpentan-2-yl)phosphane?
The IUPAC name of methyl(3-methylpentan-2-yl)phosphane (CID 90700211) is methyl(3-methylpentan-2-yl)phosphane.
What is the SMILES notation for methyl(3-methylpentan-2-yl)phosphane?
The canonical SMILES for methyl(3-methylpentan-2-yl)phosphane is CCC(C)[C-](C)PC.
What is the InChIKey of methyl(3-methylpentan-2-yl)phosphane?
The InChIKey is PCXYAGKCWISILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16P/c1-5-6(2)7(3)8-4/h6,8H,5H2,1-4H3/q-1.
What are the key properties of methyl(3-methylpentan-2-yl)phosphane?
methyl(3-methylpentan-2-yl)phosphane has a molecular weight of 131.18 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(3-methylpentan-2-yl)phosphane is sourced from PubChem (CID 90700211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).