ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline

C19H29P — CID 171624005

IUPACethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
SMILESC=CC1=C(/C=C\C)P(C)c2ccccc2C1.CC.CC
InChIInChI=1S/C15H17P.2C2H6/c1-4-8-14-12(5-2)11-13-9-6-7-10-15(13)16(14)3;2*1-2/h4-10H,2,11H2,1,3H3;2*1-2H3/b8-4-;;
InChIKeyHADBGZOQMAHXTQ-QSELPZCXSA-N
MW288.42 g/mol
LogP6.05
Rot. Bonds2

About ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline

ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline (PubChem CID 171624005) has the molecular formula C19H29P and a molecular weight of 288.42 g/mol. Its IUPAC name is ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline.

Molecular Properties

Compound Nameethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
PubChem CID171624005
Molecular FormulaC19H29P
Molecular Weight288.42 g/mol
Exact Mass288.20
IUPAC Nameethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
SMILESC=CC1=C(/C=C\C)P(C)c2ccccc2C1.CC.CC
InChIInChI=1S/C15H17P.2C2H6/c1-4-8-14-12(5-2)11-13-9-6-7-10-15(13)16(14)3;2*1-2/h4-10H,2,11H2,1,3H3;2*1-2H3/b8-4-;;
InChIKeyHADBGZOQMAHXTQ-QSELPZCXSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.42
LogP ≤ 56.05
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

3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
CID 171624006
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
2,3-bis(ethenyl)-1,4-dihydronaphthalene;methane
CID 142529129
2-ethenyl-3-ethyl-1H-indene
CID 142569795
ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
CID 142216483
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole
CID 142986985
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 143520012
ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
CID 143757912
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
CID 143141932
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline?
The IUPAC name of ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline (CID 171624005) is ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline.
What is the SMILES notation for ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline?
The canonical SMILES for ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline is C=CC1=C(/C=C\C)P(C)c2ccccc2C1.CC.CC.
What is the InChIKey of ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline?
The InChIKey is HADBGZOQMAHXTQ-QSELPZCXSA-N. The full InChI is InChI=1S/C15H17P.2C2H6/c1-4-8-14-12(5-2)11-13-9-6-7-10-15(13)16(14)3;2*1-2/h4-10H,2,11H2,1,3H3;2*1-2H3/b8-4-;;.
What are the key properties of ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline?
ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline has a molecular weight of 288.42 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline is sourced from PubChem (CID 171624005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).