[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane

C9H15P — CID 118946204

IUPAC[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane
SMILESC=C/C(C)=C(C)\C=C/CP
InChIInChI=1S/C9H15P/c1-4-8(2)9(3)6-5-7-10/h4-6H,1,7,10H2,2-3H3/b6-5-,9-8-
InChIKeyMDRVQNRFVNDYAB-AFJQJTPPSA-N
MW154.19 g/mol
LogP2.94
Rot. Bonds3

About [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane

[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane (PubChem CID 118946204) has the molecular formula C9H15P and a molecular weight of 154.19 g/mol. Its IUPAC name is [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane.

Molecular Properties

Compound Name[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane
PubChem CID118946204
Molecular FormulaC9H15P
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane
SMILESC=C/C(C)=C(C)\C=C/CP
InChIInChI=1S/C9H15P/c1-4-8(2)9(3)6-5-7-10/h4-6H,1,7,10H2,2-3H3/b6-5-,9-8-
InChIKeyMDRVQNRFVNDYAB-AFJQJTPPSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane?
The IUPAC name of [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane (CID 118946204) is [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane.
What is the SMILES notation for [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane?
The canonical SMILES for [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane is C=C/C(C)=C(C)\C=C/CP.
What is the InChIKey of [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane?
The InChIKey is MDRVQNRFVNDYAB-AFJQJTPPSA-N. The full InChI is InChI=1S/C9H15P/c1-4-8(2)9(3)6-5-7-10/h4-6H,1,7,10H2,2-3H3/b6-5-,9-8-.
What are the key properties of [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane?
[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane has a molecular weight of 154.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]phosphane is sourced from PubChem (CID 118946204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).