[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene

C26H29OP — CID 11326697

IUPAC[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene
SMILESCCCC/C(C#CC1=CCCCC1)=C/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29OP/c1-2-3-13-24(21-20-23-14-7-4-8-15-23)22-28(27,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h5-6,9-12,14,16-19,22H,2-4,7-8,13,15H2,1H3/b24-22-
InChIKeyVLZZWQNGHNXRTQ-GYHWCHFESA-N
MW388.49 g/mol
LogP6.58
Rot. Bonds6

About [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene

[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene (PubChem CID 11326697) has the molecular formula C26H29OP and a molecular weight of 388.49 g/mol. Its IUPAC name is [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene
PubChem CID11326697
Molecular FormulaC26H29OP
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene
SMILESCCCC/C(C#CC1=CCCCC1)=C/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29OP/c1-2-3-13-24(21-20-23-14-7-4-8-15-23)22-28(27,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h5-6,9-12,14,16-19,22H,2-4,7-8,13,15H2,1H3/b24-22-
InChIKeyVLZZWQNGHNXRTQ-GYHWCHFESA-N
XLogP6.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-benzylidene-5-(cyclohexen-1-yl)pent-4-yn-2-one
CID 141303782
N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide
CID 50917910
4-(cyclohexen-1-yl)-1-phenylbut-3-yn-2-one
CID 11708384
(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene
CID 135002903
ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate
CID 11151926
1-(cyclohexen-1-yl)hex-1-yn-3-ol
CID 16724041
butyl(phenyl)phosphinate
CID 51386598
8-(cyclohexen-1-yl)oct-7-yn-3-one
CID 101478958
1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
CID 106651828
[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 164687316
5-(triphenyl-lambda5-phosphanylidene)dodecan-6-one
CID 13028093
[octa-1,2-dienyl(phenyl)phosphoryl]benzene
CID 25111722

Frequently Asked Questions

What is the IUPAC name of [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene?
The IUPAC name of [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene (CID 11326697) is [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene.
What is the SMILES notation for [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene?
The canonical SMILES for [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene is CCCC/C(C#CC1=CCCCC1)=C/P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene?
The InChIKey is VLZZWQNGHNXRTQ-GYHWCHFESA-N. The full InChI is InChI=1S/C26H29OP/c1-2-3-13-24(21-20-23-14-7-4-8-15-23)22-28(27,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h5-6,9-12,14,16-19,22H,2-4,7-8,13,15H2,1H3/b24-22-.
What are the key properties of [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene?
[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene has a molecular weight of 388.49 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene is sourced from PubChem (CID 11326697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).