[(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane

C23H33P — CID 142870081

IUPAC[(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane
SMILESC=C/C(=C/C=C\P)C(=C)C/C(=C\C)C(C)CCCC1=CCCC=C1
InChIInChI=1S/C23H33P/c1-5-22(16-11-17-24)20(4)18-23(6-2)19(3)12-10-15-21-13-8-7-9-14-21/h5-6,8,11,13-14,16-17,19H,1,4,7,9-10,12,15,18,24H2,2-3H3/b17-11-,22-16-,23-6+
InChIKeyBPVDMKLYXDNOOA-WELQEYSLSA-N
MW340.49 g/mol
LogP7.46
Rot. Bonds10

About [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane

[(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane (PubChem CID 142870081) has the molecular formula C23H33P and a molecular weight of 340.49 g/mol. Its IUPAC name is [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane.

Molecular Properties

Compound Name[(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane
PubChem CID142870081
Molecular FormulaC23H33P
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Name[(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane
SMILESC=C/C(=C/C=C\P)C(=C)C/C(=C\C)C(C)CCCC1=CCCC=C1
InChIInChI=1S/C23H33P/c1-5-22(16-11-17-24)20(4)18-23(6-2)19(3)12-10-15-21-13-8-7-9-14-21/h5-6,8,11,13-14,16-17,19H,1,4,7,9-10,12,15,18,24H2,2-3H3/b17-11-,22-16-,23-6+
InChIKeyBPVDMKLYXDNOOA-WELQEYSLSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 57.46
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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Launch Full Analysis

Related Compounds

(5-cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid
CID 168915524
4-cyclohexa-1,5-dien-1-yl-N-prop-1-en-2-ylbutan-1-amine
CID 143761015
N-(2-cyclohexa-1,5-dien-1-ylethyl)but-1-en-2-amine
CID 144925841
CID 145359118
CID 145359118
(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane
CID 143007931
2,3-dimethylbut-1-ene;2-(3-methyl-4-methylideneheptyl)cyclohexa-1,3-diene;1-methyl-2-propylcyclopentan-1-amine;prop-1-ene
CID 143682122
1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-[(3Z)-3-(dimethylaminomethylidene)pent-4-enyl]urea
CID 138460584
1-(2-cyclohexa-1,5-dien-1-ylethyl)-3-[(3Z)-3-ethenylhexa-3,5-dienyl]urea;ethane;methanamine
CID 144937648
4-cyclohexa-1,5-dien-1-yl-N-(2-oxoethyl)butanamide
CID 168995900
N-(cyclohexa-1,5-dien-1-ylmethyl)propan-2-amine;ethane
CID 144703762
ethyl (2R)-5-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-methylpentanoate
CID 126672031
[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl] 5-cyclohexa-1,5-dien-1-ylpentanoate
CID 145349001

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane?
The IUPAC name of [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane (CID 142870081) is [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane.
What is the SMILES notation for [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane?
The canonical SMILES for [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane is C=C/C(=C/C=C\P)C(=C)C/C(=C\C)C(C)CCCC1=CCCC=C1.
What is the InChIKey of [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane?
The InChIKey is BPVDMKLYXDNOOA-WELQEYSLSA-N. The full InChI is InChI=1S/C23H33P/c1-5-22(16-11-17-24)20(4)18-23(6-2)19(3)12-10-15-21-13-8-7-9-14-21/h5-6,8,11,13-14,16-17,19H,1,4,7,9-10,12,15,18,24H2,2-3H3/b17-11-,22-16-,23-6+.
What are the key properties of [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane?
[(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane has a molecular weight of 340.49 g/mol, XLogP of 7.46, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z,7E)-11-cyclohexa-1,5-dien-1-yl-4-ethenyl-7-ethylidene-8-methyl-5-methylideneundeca-1,3-dienyl]phosphane is sourced from PubChem (CID 142870081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).