ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane

C17H31P — CID 142250050

IUPACethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
SMILESC=Cc1ccccc1/C=C\C.CC.CCC.CP
InChIInChI=1S/C11H12.C3H8.C2H6.CH5P/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-2;2*1-2/h3-9H,2H2,1H3;3H2,1-2H3;1-2H3;2H2,1H3/b7-3-;;;
InChIKeyHECMFEJGYBNPBI-RZBDIMBASA-N
MW266.41 g/mol
LogP6.30
Rot. Bonds2

About ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane

ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane (PubChem CID 142250050) has the molecular formula C17H31P and a molecular weight of 266.41 g/mol. Its IUPAC name is ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane.

Molecular Properties

Compound Nameethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
PubChem CID142250050
Molecular FormulaC17H31P
Molecular Weight266.41 g/mol
Exact Mass266.22
IUPAC Nameethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
SMILESC=Cc1ccccc1/C=C\C.CC.CCC.CP
InChIInChI=1S/C11H12.C3H8.C2H6.CH5P/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-2;2*1-2/h3-9H,2H2,1H3;3H2,1-2H3;1-2H3;2H2,1H3/b7-3-;;;
InChIKeyHECMFEJGYBNPBI-RZBDIMBASA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 56.30
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

1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
CID 156725547
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CID 143139503
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
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1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
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CID 143613386
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
1-ethenylnaphthalene;propane
CID 90732485
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
1,2-bis(ethenyl)benzene;platinum
CID 175428021
CID 67878092
CID 67878092

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane?
The IUPAC name of ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane (CID 142250050) is ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane.
What is the SMILES notation for ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane?
The canonical SMILES for ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane is C=Cc1ccccc1/C=C\C.CC.CCC.CP.
What is the InChIKey of ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane?
The InChIKey is HECMFEJGYBNPBI-RZBDIMBASA-N. The full InChI is InChI=1S/C11H12.C3H8.C2H6.CH5P/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-2;2*1-2/h3-9H,2H2,1H3;3H2,1-2H3;1-2H3;2H2,1H3/b7-3-;;;.
What are the key properties of ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane?
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane has a molecular weight of 266.41 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane is sourced from PubChem (CID 142250050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).