chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane

C16H20ClP — CID 155373823

IUPACchloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane
SMILESC=C/C=C\C(=C/CC=C)P(Cl)C(/C=C\C)=C/C=C
InChIInChI=1S/C16H20ClP/c1-5-9-13-16(14-10-6-2)18(17)15(11-7-3)12-8-4/h5-9,11-14H,1-3,10H2,4H3/b12-8-,13-9-,15-11+,16-14+
InChIKeyBXCUESWGSMWVMC-QZMWQVLNSA-N
MW278.76 g/mol
LogP6.47
Rot. Bonds8

About chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane

chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane (PubChem CID 155373823) has the molecular formula C16H20ClP and a molecular weight of 278.76 g/mol. Its IUPAC name is chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane.

Molecular Properties

Compound Namechloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane
PubChem CID155373823
Molecular FormulaC16H20ClP
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Namechloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane
SMILESC=C/C=C\C(=C/CC=C)P(Cl)C(/C=C\C)=C/C=C
InChIInChI=1S/C16H20ClP/c1-5-9-13-16(14-10-6-2)18(17)15(11-7-3)12-8-4/h5-9,11-14H,1-3,10H2,4H3/b12-8-,13-9-,15-11+,16-14+
InChIKeyBXCUESWGSMWVMC-QZMWQVLNSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.76
LogP ≤ 56.47
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane?
The IUPAC name of chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane (CID 155373823) is chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane.
What is the SMILES notation for chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane?
The canonical SMILES for chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane is C=C/C=C\C(=C/CC=C)P(Cl)C(/C=C\C)=C/C=C.
What is the InChIKey of chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane?
The InChIKey is BXCUESWGSMWVMC-QZMWQVLNSA-N. The full InChI is InChI=1S/C16H20ClP/c1-5-9-13-16(14-10-6-2)18(17)15(11-7-3)12-8-4/h5-9,11-14H,1-3,10H2,4H3/b12-8-,13-9-,15-11+,16-14+.
What are the key properties of chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane?
chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane has a molecular weight of 278.76 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane is sourced from PubChem (CID 155373823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).