3-methylheptan-4-ylphosphane

C8H19P — CID 178108210

IUPAC3-methylheptan-4-ylphosphane
SMILESCCCC(P)C(C)CC
InChIInChI=1S/C8H19P/c1-4-6-8(9)7(3)5-2/h7-8H,4-6,9H2,1-3H3
InChIKeyZPZUHARWOVZGBW-UHFFFAOYSA-N
MW146.21 g/mol
LogP3.08
Rot. Bonds4

About 3-methylheptan-4-ylphosphane

3-methylheptan-4-ylphosphane (PubChem CID 178108210) has the molecular formula C8H19P and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-methylheptan-4-ylphosphane.

Molecular Properties

Compound Name3-methylheptan-4-ylphosphane
PubChem CID178108210
Molecular FormulaC8H19P
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name3-methylheptan-4-ylphosphane
SMILESCCCC(P)C(C)CC
InChIInChI=1S/C8H19P/c1-4-6-8(9)7(3)5-2/h7-8H,4-6,9H2,1-3H3
InChIKeyZPZUHARWOVZGBW-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 53.08
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-methylhexan-3-ylphosphane;dihydrochloride
CID 88799902
(3R)-3,4-dimethylheptane
CID 59819300
(2-methyl-3-propan-2-ylheptan-4-yl)phosphane
CID 170221608
2,3-dimethylpentane;hexan-3-ol
CID 143653257
pentan-2-ylphosphane
CID 22981481
hexan-3-ol
CID 12178
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
4-chloro-3-methylheptane
CID 54215050
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
(3-methyl-2-propylpentoxy)phosphane
CID 123507297
3-methylnonan-4-ol;nonan-4-ol
CID 18968461
4,5-diethyloctane
CID 519254

Frequently Asked Questions

What is the IUPAC name of 3-methylheptan-4-ylphosphane?
The IUPAC name of 3-methylheptan-4-ylphosphane (CID 178108210) is 3-methylheptan-4-ylphosphane.
What is the SMILES notation for 3-methylheptan-4-ylphosphane?
The canonical SMILES for 3-methylheptan-4-ylphosphane is CCCC(P)C(C)CC.
What is the InChIKey of 3-methylheptan-4-ylphosphane?
The InChIKey is ZPZUHARWOVZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19P/c1-4-6-8(9)7(3)5-2/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 3-methylheptan-4-ylphosphane?
3-methylheptan-4-ylphosphane has a molecular weight of 146.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptan-4-ylphosphane is sourced from PubChem (CID 178108210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).