2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene

C14H20 — CID 160716023

IUPAC2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene
SMILESC/C=C/[C@@H](CC)c1cc(C)ccc1C
InChIInChI=1S/C14H20/c1-5-7-13(6-2)14-10-11(3)8-9-12(14)4/h5,7-10,13H,6H2,1-4H3/b7-5+/t13-/m1/s1
InChIKeyRSMFTPWQSUSOGH-VUDGCMKMSA-N
MW188.31 g/mol
LogP4.37
Rot. Bonds3

About 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene

2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene (PubChem CID 160716023) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene
PubChem CID160716023
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene
SMILESC/C=C/[C@@H](CC)c1cc(C)ccc1C
InChIInChI=1S/C14H20/c1-5-7-13(6-2)14-10-11(3)8-9-12(14)4/h5,7-10,13H,6H2,1-4H3/b7-5+/t13-/m1/s1
InChIKeyRSMFTPWQSUSOGH-VUDGCMKMSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,3S)-3-(2,5-dimethylphenyl)hex-4-enoic acid
CID 157245480
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
2-(4-bromo-3-methylbutan-2-yl)-1,4-dimethylbenzene
CID 83928097
N-[1-(2,5-dimethylphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350300
2-[(1R)-1-isocyanatopropyl]-1,4-dimethylbenzene
CID 139392315
1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
CID 116715174
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
CID 136852898
CID 136852898

Frequently Asked Questions

What is the IUPAC name of 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene?
The IUPAC name of 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene (CID 160716023) is 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene is C/C=C/[C@@H](CC)c1cc(C)ccc1C.
What is the InChIKey of 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene?
The InChIKey is RSMFTPWQSUSOGH-VUDGCMKMSA-N. The full InChI is InChI=1S/C14H20/c1-5-7-13(6-2)14-10-11(3)8-9-12(14)4/h5,7-10,13H,6H2,1-4H3/b7-5+/t13-/m1/s1.
What are the key properties of 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene?
2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3R)-hex-4-en-3-yl]-1,4-dimethylbenzene is sourced from PubChem (CID 160716023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).