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

C17H30 — CID 167452677

IUPACethane;[(E)-4-methylhex-2-en-3-yl]benzene
SMILESC/C=C(/c1ccccc1)C(C)CC.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-4-11(3)13(5-2)12-9-7-6-8-10-12;2*1-2/h5-11H,4H2,1-3H3;2*1-2H3/b13-5+;;
InChIKeySNBBREMVMVWOAY-IXYGCXJQSA-N
MW234.43 g/mol
LogP6.19
Rot. Bonds3

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

ethane;[(E)-4-methylhex-2-en-3-yl]benzene (PubChem CID 167452677) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;[(E)-4-methylhex-2-en-3-yl]benzene.

Molecular Properties

Compound Nameethane;[(E)-4-methylhex-2-en-3-yl]benzene
PubChem CID167452677
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;[(E)-4-methylhex-2-en-3-yl]benzene
SMILESC/C=C(/c1ccccc1)C(C)CC.CC.CC
InChIInChI=1S/C13H18.2C2H6/c1-4-11(3)13(5-2)12-9-7-6-8-10-12;2*1-2/h5-11H,4H2,1-3H3;2*1-2H3/b13-5+;;
InChIKeySNBBREMVMVWOAY-IXYGCXJQSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
2-methyl-1-phenylbutan-1-imine
CID 12072867
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
(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)-hex-4-en-3-yl] benzoate
CID 134896656

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-4-methylhex-2-en-3-yl]benzene?
The IUPAC name of ethane;[(E)-4-methylhex-2-en-3-yl]benzene (CID 167452677) is ethane;[(E)-4-methylhex-2-en-3-yl]benzene.
What is the SMILES notation for ethane;[(E)-4-methylhex-2-en-3-yl]benzene?
The canonical SMILES for ethane;[(E)-4-methylhex-2-en-3-yl]benzene is C/C=C(/c1ccccc1)C(C)CC.CC.CC.
What is the InChIKey of ethane;[(E)-4-methylhex-2-en-3-yl]benzene?
The InChIKey is SNBBREMVMVWOAY-IXYGCXJQSA-N. The full InChI is InChI=1S/C13H18.2C2H6/c1-4-11(3)13(5-2)12-9-7-6-8-10-12;2*1-2/h5-11H,4H2,1-3H3;2*1-2H3/b13-5+;;.
What are the key properties of ethane;[(E)-4-methylhex-2-en-3-yl]benzene?
ethane;[(E)-4-methylhex-2-en-3-yl]benzene has a molecular weight of 234.43 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-4-methylhex-2-en-3-yl]benzene is sourced from PubChem (CID 167452677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).