1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene

C16H22 — CID 145272327

IUPAC1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
SMILESC=CC/C(=C\C)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-6-8-14(7-2)16(4,5)15-11-9-13(3)10-12-15/h6-7,9-12H,1,8H2,2-5H3/b14-7+
InChIKeyDBGXZUDPHBIYLC-VGOFMYFVSA-N
MW214.35 g/mol
LogP4.80
Rot. Bonds4

About 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene

1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene (PubChem CID 145272327) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
PubChem CID145272327
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
SMILESC=CC/C(=C\C)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-6-8-14(7-2)16(4,5)15-11-9-13(3)10-12-15/h6-7,9-12H,1,8H2,2-5H3/b14-7+
InChIKeyDBGXZUDPHBIYLC-VGOFMYFVSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.80
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

1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
CID 143022578
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478
ethane;methanol;2-methyl-2-(4-methylphenyl)pentan-3-one
CID 143507442
1,1-bis(4-methylphenyl)prop-2-en-1-ol
CID 117063352
1-tert-butyl-4-methylbenzene
CID 163486601
1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene
CID 143683561
magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride
CID 10082087
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-methyl-4-[(2S)-6-methyl-2-prop-2-enoxyhept-5-en-2-yl]benzene
CID 46844454
azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
CID 174764098
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene (CID 145272327) is 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene is C=CC/C(=C\C)C(C)(C)c1ccc(C)cc1.
What is the InChIKey of 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene?
The InChIKey is DBGXZUDPHBIYLC-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H22/c1-6-8-14(7-2)16(4,5)15-11-9-13(3)10-12-15/h6-7,9-12H,1,8H2,2-5H3/b14-7+.
What are the key properties of 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene?
1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene has a molecular weight of 214.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene is sourced from PubChem (CID 145272327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).