[(E)-4-methylhex-2-en-3-yl]benzene

C13H18 — CID 12531537

IUPAC[(E)-4-methylhex-2-en-3-yl]benzene
SMILESC/C=C(/c1ccccc1)C(C)CC
InChIInChI=1S/C13H18/c1-4-11(3)13(5-2)12-9-7-6-8-10-12/h5-11H,4H2,1-3H3/b13-5+
InChIKeyMRFBTNVGXNDULR-WLRTZDKTSA-N
MW174.29 g/mol
LogP4.14
Rot. Bonds3

About [(E)-4-methylhex-2-en-3-yl]benzene

[(E)-4-methylhex-2-en-3-yl]benzene (PubChem CID 12531537) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is [(E)-4-methylhex-2-en-3-yl]benzene.

Molecular Properties

Compound Name[(E)-4-methylhex-2-en-3-yl]benzene
PubChem CID12531537
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name[(E)-4-methylhex-2-en-3-yl]benzene
SMILESC/C=C(/c1ccccc1)C(C)CC
InChIInChI=1S/C13H18/c1-4-11(3)13(5-2)12-9-7-6-8-10-12/h5-11H,4H2,1-3H3/b13-5+
InChIKeyMRFBTNVGXNDULR-WLRTZDKTSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(E)-4-methylhex-2-en-3-yl]benzene
CID 167452677
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
2-methyl-1-phenylbutan-1-imine
CID 12072867
(E)-4-ethyl-3-phenylhex-2-enoic acid
CID 82048815
4-methylhex-2-en-2-ylbenzene
CID 76543432
1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
CID 102162472
2-benzylidene-3-methylpentan-1-amine
CID 154441203
4-[(Z)-1,2-diphenylbut-2-enyl]phenol
CID 70549911
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
4-methyl-3-phenylpent-2-enal
CID 86256900
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
[(E)-hex-4-en-3-yl] benzoate
CID 134896656

Frequently Asked Questions

What is the IUPAC name of [(E)-4-methylhex-2-en-3-yl]benzene?
The IUPAC name of [(E)-4-methylhex-2-en-3-yl]benzene (CID 12531537) is [(E)-4-methylhex-2-en-3-yl]benzene.
What is the SMILES notation for [(E)-4-methylhex-2-en-3-yl]benzene?
The canonical SMILES for [(E)-4-methylhex-2-en-3-yl]benzene is C/C=C(/c1ccccc1)C(C)CC.
What is the InChIKey of [(E)-4-methylhex-2-en-3-yl]benzene?
The InChIKey is MRFBTNVGXNDULR-WLRTZDKTSA-N. The full InChI is InChI=1S/C13H18/c1-4-11(3)13(5-2)12-9-7-6-8-10-12/h5-11H,4H2,1-3H3/b13-5+.
What are the key properties of [(E)-4-methylhex-2-en-3-yl]benzene?
[(E)-4-methylhex-2-en-3-yl]benzene has a molecular weight of 174.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methylhex-2-en-3-yl]benzene is sourced from PubChem (CID 12531537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).