ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene

C25H36 — CID 142163032

IUPACethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
SMILESCC.CC/C=C(\C)c1ccccc1.CC/C=C(\C)c1ccccc1C
InChIInChI=1S/C12H16.C11H14.C2H6/c1-4-7-10(2)12-9-6-5-8-11(12)3;1-3-7-10(2)11-8-5-4-6-9-11;1-2/h5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;1-2H3/b2*10-7+;
InChIKeyLIOXNCRJABXNSX-QARJDJJSSA-N
MW336.56 g/mol
LogP8.33
Rot. Bonds4

About ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene

ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene (PubChem CID 142163032) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
PubChem CID142163032
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Nameethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
SMILESCC.CC/C=C(\C)c1ccccc1.CC/C=C(\C)c1ccccc1C
InChIInChI=1S/C12H16.C11H14.C2H6/c1-4-7-10(2)12-9-6-5-8-11(12)3;1-3-7-10(2)11-8-5-4-6-9-11;1-2/h5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;1-2H3/b2*10-7+;
InChIKeyLIOXNCRJABXNSX-QARJDJJSSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
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2-[(E)-pent-2-en-2-yl]benzoic acid
CID 168936583
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
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CID 131859830
N-methyl-4-(2-methylphenyl)pent-3-en-1-amine
CID 79599588
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene?
The IUPAC name of ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene (CID 142163032) is ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene.
What is the SMILES notation for ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene?
The canonical SMILES for ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene is CC.CC/C=C(\C)c1ccccc1.CC/C=C(\C)c1ccccc1C.
What is the InChIKey of ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene?
The InChIKey is LIOXNCRJABXNSX-QARJDJJSSA-N. The full InChI is InChI=1S/C12H16.C11H14.C2H6/c1-4-7-10(2)12-9-6-5-8-11(12)3;1-3-7-10(2)11-8-5-4-6-9-11;1-2/h5-9H,4H2,1-3H3;4-9H,3H2,1-2H3;1-2H3/b2*10-7+;.
What are the key properties of ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene?
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene has a molecular weight of 336.56 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene is sourced from PubChem (CID 142163032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).