[(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane

C24H31P — CID 23660273

IUPAC[(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane
SMILESCCC/C(CC1CC1)=C(\CCC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31P/c1-3-11-21(19-20-17-18-20)24(12-4-2)25(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,20H,3-4,11-12,17-19H2,1-2H3/b24-21-
InChIKeyWLPKUUNKPRMOCD-FLFQWRMESA-N
MW350.49 g/mol
LogP6.77
Rot. Bonds9

About [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane

[(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane (PubChem CID 23660273) has the molecular formula C24H31P and a molecular weight of 350.49 g/mol. Its IUPAC name is [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane
PubChem CID23660273
Molecular FormulaC24H31P
Molecular Weight350.49 g/mol
Exact Mass350.22
IUPAC Name[(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane
SMILESCCC/C(CC1CC1)=C(\CCC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31P/c1-3-11-21(19-20-17-18-20)24(12-4-2)25(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,20H,3-4,11-12,17-19H2,1-2H3/b24-21-
InChIKeyWLPKUUNKPRMOCD-FLFQWRMESA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-di(propan-2-yl)phosphane
CID 23660270
2-(1-diphenylphosphanylpropylidene)propanedinitrile
CID 12557470
1-diphenylphosphanylethenyl(diphenyl)phosphane;hexane
CID 131733424
butane;triphenylphosphane
CID 161447439
2-cyclopropyl-N-phenylacetamide
CID 60753326
2-(cyclopropylmethyl)phenol
CID 23014132
1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane
CID 87086288
N-[(1R,2R)-2-(3-diphenylphosphanylpropanoylamino)cyclohexyl]butanamide
CID 167682088
[4-[(benzylamino)methyl]cyclohexyl] butanoate
CID 91414149
butane;cyclopentylmethylbenzene
CID 143522605
cyclopropylmethylbenzene;ethane;methane
CID 142248267
dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride
CID 159184721

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane?
The IUPAC name of [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane (CID 23660273) is [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane.
What is the SMILES notation for [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane?
The canonical SMILES for [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane is CCC/C(CC1CC1)=C(\CCC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane?
The InChIKey is WLPKUUNKPRMOCD-FLFQWRMESA-N. The full InChI is InChI=1S/C24H31P/c1-3-11-21(19-20-17-18-20)24(12-4-2)25(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,20H,3-4,11-12,17-19H2,1-2H3/b24-21-.
What are the key properties of [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane?
[(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane has a molecular weight of 350.49 g/mol, XLogP of 6.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(cyclopropylmethyl)oct-4-en-4-yl]-diphenylphosphane is sourced from PubChem (CID 23660273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).