dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane

C19H31P — CID 88899429

IUPACdicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane
SMILESC=C/C=C\C=C(/C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H31P/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19/h3-4,7,12,18-19H,1,5-6,8-11,13-16H2,2H3/b7-4-,17-12+
InChIKeyVSEOMVHLXKXMTN-LUJAEEAZSA-N
MW290.43 g/mol
LogP6.78
Rot. Bonds5

About dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane

dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane (PubChem CID 88899429) has the molecular formula C19H31P and a molecular weight of 290.43 g/mol. Its IUPAC name is dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane
PubChem CID88899429
Molecular FormulaC19H31P
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Namedicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane
SMILESC=C/C=C\C=C(/C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H31P/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19/h3-4,7,12,18-19H,1,5-6,8-11,13-16H2,2H3/b7-4-,17-12+
InChIKeyVSEOMVHLXKXMTN-LUJAEEAZSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.78
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 dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane?
The IUPAC name of dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane (CID 88899429) is dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane?
The canonical SMILES for dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane is C=C/C=C\C=C(/C)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane?
The InChIKey is VSEOMVHLXKXMTN-LUJAEEAZSA-N. The full InChI is InChI=1S/C19H31P/c1-3-4-7-12-17(2)20(18-13-8-5-9-14-18)19-15-10-6-11-16-19/h3-4,7,12,18-19H,1,5-6,8-11,13-16H2,2H3/b7-4-,17-12+.
What are the key properties of dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane?
dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane has a molecular weight of 290.43 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phosphane is sourced from PubChem (CID 88899429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).