[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane

C11H19P — CID 166918085

IUPAC[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
SMILESC=C/C=C(\C=C/C)C(C)(P)CC
InChIInChI=1S/C11H19P/c1-5-8-10(9-6-2)11(4,12)7-3/h5-6,8-9H,1,7,12H2,2-4H3/b9-6-,10-8+
InChIKeyHNKCUFJSCMBRJD-NULKZJHKSA-N
MW182.25 g/mol
LogP3.72
Rot. Bonds4

About [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane

[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane (PubChem CID 166918085) has the molecular formula C11H19P and a molecular weight of 182.25 g/mol. Its IUPAC name is [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane.

Molecular Properties

Compound Name[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
PubChem CID166918085
Molecular FormulaC11H19P
Molecular Weight182.25 g/mol
Exact Mass182.12
IUPAC Name[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
SMILESC=C/C=C(\C=C/C)C(C)(P)CC
InChIInChI=1S/C11H19P/c1-5-8-10(9-6-2)11(4,12)7-3/h5-6,8-9H,1,7,12H2,2-4H3/b9-6-,10-8+
InChIKeyHNKCUFJSCMBRJD-NULKZJHKSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 53.72
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 [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane?
The IUPAC name of [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane (CID 166918085) is [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane.
What is the SMILES notation for [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane?
The canonical SMILES for [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane is C=C/C=C(\C=C/C)C(C)(P)CC.
What is the InChIKey of [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane?
The InChIKey is HNKCUFJSCMBRJD-NULKZJHKSA-N. The full InChI is InChI=1S/C11H19P/c1-5-8-10(9-6-2)11(4,12)7-3/h5-6,8-9H,1,7,12H2,2-4H3/b9-6-,10-8+.
What are the key properties of [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane?
[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane has a molecular weight of 182.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane is sourced from PubChem (CID 166918085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).