2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene

C18H26 — CID 142463304

IUPAC2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene
SMILESC=C/C(C1=CCCC=C1C)=C(C)\C(=C/C)CCC
InChIInChI=1S/C18H26/c1-6-11-16(7-2)15(5)17(8-3)18-13-10-9-12-14(18)4/h7-8,12-13H,3,6,9-11H2,1-2,4-5H3/b16-7-,17-15+
InChIKeyMTNUXBYMXMIJRU-RPOPIWNBSA-N
MW242.41 g/mol
LogP5.90
Rot. Bonds5

About 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene

2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene (PubChem CID 142463304) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene
PubChem CID142463304
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene
SMILESC=C/C(C1=CCCC=C1C)=C(C)\C(=C/C)CCC
InChIInChI=1S/C18H26/c1-6-11-16(7-2)15(5)17(8-3)18-13-10-9-12-14(18)4/h7-8,12-13H,3,6,9-11H2,1-2,4-5H3/b16-7-,17-15+
InChIKeyMTNUXBYMXMIJRU-RPOPIWNBSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene
CID 176659804
2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
CID 143644064
2-butyl-3-methyl-1-[(3E)-4-methylhexa-1,3,5-trien-3-yl]cyclohexa-1,3-diene
CID 144613975
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene
CID 143221921
(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
CID 143486696
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
2,4-dimethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)heptan-1-one;ethane
CID 142106878
1-(3-chloroprop-1-en-2-yl)-4-[(3Z)-3-(6-methylcyclohexa-1,5-dien-1-yl)octa-1,3-dien-2-yl]naphthalene;heptane
CID 144557532
2-methyl-1-(4-prop-1-en-2-ylhepta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 123378423
[(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene
CID 142303229
2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene
CID 143183807

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene?
The IUPAC name of 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene (CID 142463304) is 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene is C=C/C(C1=CCCC=C1C)=C(C)\C(=C/C)CCC.
What is the InChIKey of 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene?
The InChIKey is MTNUXBYMXMIJRU-RPOPIWNBSA-N. The full InChI is InChI=1S/C18H26/c1-6-11-16(7-2)15(5)17(8-3)18-13-10-9-12-14(18)4/h7-8,12-13H,3,6,9-11H2,1-2,4-5H3/b16-7-,17-15+.
What are the key properties of 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene?
2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene has a molecular weight of 242.41 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142463304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).