methyl(3-methylhepta-1,4-dien-3-yl)phosphane

C9H17P — CID 123439471

IUPACmethyl(3-methylhepta-1,4-dien-3-yl)phosphane
SMILESC=CC(C)(C=CCC)PC
InChIInChI=1S/C9H17P/c1-5-7-8-9(3,6-2)10-4/h6-8,10H,2,5H2,1,3-4H3
InChIKeyZCPALZFVJIYBLH-UHFFFAOYSA-N
MW156.21 g/mol
LogP3.21
Rot. Bonds4

About methyl(3-methylhepta-1,4-dien-3-yl)phosphane

methyl(3-methylhepta-1,4-dien-3-yl)phosphane (PubChem CID 123439471) has the molecular formula C9H17P and a molecular weight of 156.21 g/mol. Its IUPAC name is methyl(3-methylhepta-1,4-dien-3-yl)phosphane.

Molecular Properties

Compound Namemethyl(3-methylhepta-1,4-dien-3-yl)phosphane
PubChem CID123439471
Molecular FormulaC9H17P
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Namemethyl(3-methylhepta-1,4-dien-3-yl)phosphane
SMILESC=CC(C)(C=CCC)PC
InChIInChI=1S/C9H17P/c1-5-7-8-9(3,6-2)10-4/h6-8,10H,2,5H2,1,3-4H3
InChIKeyZCPALZFVJIYBLH-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(3-methylhepta-1,4-dien-3-yl)phosphane?
The IUPAC name of methyl(3-methylhepta-1,4-dien-3-yl)phosphane (CID 123439471) is methyl(3-methylhepta-1,4-dien-3-yl)phosphane.
What is the SMILES notation for methyl(3-methylhepta-1,4-dien-3-yl)phosphane?
The canonical SMILES for methyl(3-methylhepta-1,4-dien-3-yl)phosphane is C=CC(C)(C=CCC)PC.
What is the InChIKey of methyl(3-methylhepta-1,4-dien-3-yl)phosphane?
The InChIKey is ZCPALZFVJIYBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17P/c1-5-7-8-9(3,6-2)10-4/h6-8,10H,2,5H2,1,3-4H3.
What are the key properties of methyl(3-methylhepta-1,4-dien-3-yl)phosphane?
methyl(3-methylhepta-1,4-dien-3-yl)phosphane has a molecular weight of 156.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(3-methylhepta-1,4-dien-3-yl)phosphane is sourced from PubChem (CID 123439471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).