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

C18H32 — CID 172609650

IUPACethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1cc(C)ccc1/C=C\C.CC.CC.CC
InChIInChI=1S/C12H14.3C2H6/c1-4-6-12-8-7-10(3)9-11(12)5-2;3*1-2/h4-9H,2H2,1,3H3;3*1-2H3/b6-4-;;;
InChIKeyFLLWSBGAFOTWIK-UVOCCRBZSA-N
MW248.45 g/mol
LogP6.75
Rot. Bonds2

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

ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene (PubChem CID 172609650) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Nameethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
PubChem CID172609650
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
SMILESC=Cc1cc(C)ccc1/C=C\C.CC.CC.CC
InChIInChI=1S/C12H14.3C2H6/c1-4-6-12-8-7-10(3)9-11(12)5-2;3*1-2/h4-9H,2H2,1,3H3;3*1-2H3/b6-4-;;;
InChIKeyFLLWSBGAFOTWIK-UVOCCRBZSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
2-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 142382594
2-ethenyl-4-methyl-1-(3-methylpent-1-enyl)benzene
CID 123226279
[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid
CID 142377841
1-ethenyl-2,4-dimethylbenzene
CID 157285903
4-bromo-1-ethenyl-2-[(Z)-prop-1-enyl]benzene;ethane
CID 142150978
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene?
The IUPAC name of ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene (CID 172609650) is ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene is C=Cc1cc(C)ccc1/C=C\C.CC.CC.CC.
What is the InChIKey of ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene?
The InChIKey is FLLWSBGAFOTWIK-UVOCCRBZSA-N. The full InChI is InChI=1S/C12H14.3C2H6/c1-4-6-12-8-7-10(3)9-11(12)5-2;3*1-2/h4-9H,2H2,1,3H3;3*1-2H3/b6-4-;;;.
What are the key properties of ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene?
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene has a molecular weight of 248.45 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 172609650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).