hexan-2-yl(methyl)phosphane

C7H17P — CID 90771423

IUPAChexan-2-yl(methyl)phosphane
SMILESCCCCC(C)PC
InChIInChI=1S/C7H17P/c1-4-5-6-7(2)8-3/h7-8H,4-6H2,1-3H3
InChIKeyKDLUHSQSZKAHLN-UHFFFAOYSA-N
MW132.19 g/mol
LogP2.87
Rot. Bonds4

About hexan-2-yl(methyl)phosphane

hexan-2-yl(methyl)phosphane (PubChem CID 90771423) has the molecular formula C7H17P and a molecular weight of 132.19 g/mol. Its IUPAC name is hexan-2-yl(methyl)phosphane.

Molecular Properties

Compound Namehexan-2-yl(methyl)phosphane
PubChem CID90771423
Molecular FormulaC7H17P
Molecular Weight132.19 g/mol
Exact Mass132.11
IUPAC Namehexan-2-yl(methyl)phosphane
SMILESCCCCC(C)PC
InChIInChI=1S/C7H17P/c1-4-5-6-7(2)8-3/h7-8H,4-6H2,1-3H3
InChIKeyKDLUHSQSZKAHLN-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexan-2-yl(methyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl(methyl)phosphanium
CID 2760115
di(tricosan-2-yl)phosphane;hydroiodide
CID 129071952
bis(heptan-2-yl(octan-3-yl)phosphane);methyl(octan-3-yl)phosphane
CID 158660791
henicosan-2-yl(iodo)phosphane
CID 19885667
dibutyl-ethyl-methylphosphanium
CID 58444360
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
tributyl(methyl)phosphanium iodide
CID 2760114
2-methylhexane;hydrochloride
CID 172797630
CID 91544051
CID 91544051
5,6,14,15-tetramethylnonadecane
CID 123473711
ethane;hexane;2-methylhexane
CID 142051007

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl(methyl)phosphane?
The IUPAC name of hexan-2-yl(methyl)phosphane (CID 90771423) is hexan-2-yl(methyl)phosphane.
What is the SMILES notation for hexan-2-yl(methyl)phosphane?
The canonical SMILES for hexan-2-yl(methyl)phosphane is CCCCC(C)PC.
What is the InChIKey of hexan-2-yl(methyl)phosphane?
The InChIKey is KDLUHSQSZKAHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17P/c1-4-5-6-7(2)8-3/h7-8H,4-6H2,1-3H3.
What are the key properties of hexan-2-yl(methyl)phosphane?
hexan-2-yl(methyl)phosphane has a molecular weight of 132.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl(methyl)phosphane is sourced from PubChem (CID 90771423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).