2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene

C16H22 — CID 143221921

IUPAC2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene
SMILESCC(C)=C/C=C\C=C(/C)C1=CCCC=C1C
InChIInChI=1S/C16H22/c1-13(2)9-5-6-10-14(3)16-12-8-7-11-15(16)4/h5-6,9-12H,7-8H2,1-4H3/b6-5-,14-10+
InChIKeyVNCDUHAOSUAFIZ-WULNTPNUSA-N
MW214.35 g/mol
LogP5.12
Rot. Bonds3

About 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene

2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene (PubChem CID 143221921) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene
PubChem CID143221921
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene
SMILESCC(C)=C/C=C\C=C(/C)C1=CCCC=C1C
InChIInChI=1S/C16H22/c1-13(2)9-5-6-10-14(3)16-12-8-7-11-15(16)4/h5-6,9-12H,7-8H2,1-4H3/b6-5-,14-10+
InChIKeyVNCDUHAOSUAFIZ-WULNTPNUSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene with MolForge

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Related Compounds

(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene
CID 176659804
(4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one
CID 142935728
1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone
CID 145337056
2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
CID 143644064
N-[(1E,3E,5E,7E)-10-naphthalen-2-ylundeca-1,3,5,7,9-pentaenyl]cyclohexa-1,5-dien-1-amine
CID 144884824
2,7-dimethylcyclohepta-2,6-dien-1-one
CID 130027254
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
(2E)-5-methylhexa-2,4-dienal
CID 11829387
2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene
CID 142463304
(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol
CID 171119848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene (CID 143221921) is 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene is CC(C)=C/C=C\C=C(/C)C1=CCCC=C1C.
What is the InChIKey of 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene?
The InChIKey is VNCDUHAOSUAFIZ-WULNTPNUSA-N. The full InChI is InChI=1S/C16H22/c1-13(2)9-5-6-10-14(3)16-12-8-7-11-15(16)4/h5-6,9-12H,7-8H2,1-4H3/b6-5-,14-10+.
What are the key properties of 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene?
2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene has a molecular weight of 214.35 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 143221921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).