1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene

C14H20 — CID 102094486

IUPAC1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene
SMILESCC/C=C(/C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20/c1-6-7-11(3)14-12(4)8-10(2)9-13(14)5/h7-9H,6H2,1-5H3/b11-7-
InChIKeyPEPPMQCKABRYGR-XFFZJAGNSA-N
MW188.31 g/mol
LogP4.43
Rot. Bonds2

About 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene

1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene (PubChem CID 102094486) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene
PubChem CID102094486
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene
SMILESCC/C=C(/C)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20/c1-6-7-11(3)14-12(4)8-10(2)9-13(14)5/h7-9H,6H2,1-5H3/b11-7-
InChIKeyPEPPMQCKABRYGR-XFFZJAGNSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine
CID 83530633
1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene
CID 101417332
(E)-3-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 82048650
9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene
CID 143046184
1,1-bis(2,4,6-trimethylphenyl)but-1-en-2-ol
CID 86120683
(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide
CID 143882547
(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106882828
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
2,4-dimethyl-5-[(E)-pent-2-en-2-yl]aniline;2-methylprop-1-ene
CID 177043566
(Z)-3-hydroxy-2-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 54716620
[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate
CID 10788191

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene (CID 102094486) is 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene is CC/C=C(/C)c1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene?
The InChIKey is PEPPMQCKABRYGR-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H20/c1-6-7-11(3)14-12(4)8-10(2)9-13(14)5/h7-9H,6H2,1-5H3/b11-7-.
What are the key properties of 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene?
1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene is sourced from PubChem (CID 102094486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).