ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane

C17H32 — CID 143188972

IUPACethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
SMILESC.C.C.C=Cc1ccc(C)cc1/C=C\C.CC
InChIInChI=1S/C12H14.C2H6.3CH4/c1-4-6-12-9-10(3)7-8-11(12)5-2;1-2;;;/h4-9H,2H2,1,3H3;1-2H3;3*1H4/b6-4-;;;;
InChIKeyFITGOELQLSBBLT-RGYKDBBASA-N
MW236.44 g/mol
LogP6.61
Rot. Bonds2

About ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane

ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane (PubChem CID 143188972) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane.

Molecular Properties

Compound Nameethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
PubChem CID143188972
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
SMILESC.C.C.C=Cc1ccc(C)cc1/C=C\C.CC
InChIInChI=1S/C12H14.C2H6.3CH4/c1-4-6-12-9-10(3)7-8-11(12)5-2;1-2;;;/h4-9H,2H2,1,3H3;1-2H3;3*1H4/b6-4-;;;;
InChIKeyFITGOELQLSBBLT-RGYKDBBASA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
4-bromo-1-ethenyl-2-[(Z)-prop-1-enyl]benzene;ethane
CID 142150978
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088
1-ethenyl-2,4-dimethylbenzene
CID 157285903
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
CID 167189739
ethane;5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]pyridine
CID 143821752
ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
CID 176574437

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane?
The IUPAC name of ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane (CID 143188972) is ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane.
What is the SMILES notation for ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane?
The canonical SMILES for ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane is C.C.C.C=Cc1ccc(C)cc1/C=C\C.CC.
What is the InChIKey of ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane?
The InChIKey is FITGOELQLSBBLT-RGYKDBBASA-N. The full InChI is InChI=1S/C12H14.C2H6.3CH4/c1-4-6-12-9-10(3)7-8-11(12)5-2;1-2;;;/h4-9H,2H2,1,3H3;1-2H3;3*1H4/b6-4-;;;;.
What are the key properties of ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane?
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane has a molecular weight of 236.44 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane is sourced from PubChem (CID 143188972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).