2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene

C19H28 — CID 145486608

IUPAC2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cccc(C)c1C(C(=C)C)C(CC)CC
InChIInChI=1S/C19H28/c1-7-11-17-13-10-12-15(6)19(17)18(14(4)5)16(8-2)9-3/h7,10,12-13,16,18H,1,4,8-9,11H2,2-3,5-6H3
InChIKeyJHJRJYPHSLQERC-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.82
Rot. Bonds7

About 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene

2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene (PubChem CID 145486608) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene.

Molecular Properties

Compound Name2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene
PubChem CID145486608
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cccc(C)c1C(C(=C)C)C(CC)CC
InChIInChI=1S/C19H28/c1-7-11-17-13-10-12-15(6)19(17)18(14(4)5)16(8-2)9-3/h7,10,12-13,16,18H,1,4,8-9,11H2,2-3,5-6H3
InChIKeyJHJRJYPHSLQERC-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.82
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

2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene
CID 101178102
2-[(2-methyl-6-prop-2-enylphenyl)-[(2-methyl-6-prop-2-enylphenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
CID 141473572
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
3-prop-2-enyl-2-propylphenol
CID 139705767
bis(cyclopenta-1,3-diene);bis(2-methyl-6-prop-2-enylphenol);zirconium(2+)
CID 141004924
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene?
The IUPAC name of 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene (CID 145486608) is 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene.
What is the SMILES notation for 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene?
The canonical SMILES for 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene is C=CCc1cccc(C)c1C(C(=C)C)C(CC)CC.
What is the InChIKey of 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene?
The InChIKey is JHJRJYPHSLQERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-7-11-17-13-10-12-15(6)19(17)18(14(4)5)16(8-2)9-3/h7,10,12-13,16,18H,1,4,8-9,11H2,2-3,5-6H3.
What are the key properties of 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene?
2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylhex-1-en-3-yl)-1-methyl-3-prop-2-enylbenzene is sourced from PubChem (CID 145486608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).