1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene

C18H26 — CID 170619792

IUPAC1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene
SMILESC=C(/C=C\C=C(C)C)C(=C)C1=C(C)CCCC1C
InChIInChI=1S/C18H26/c1-13(2)9-7-10-14(3)17(6)18-15(4)11-8-12-16(18)5/h7,9-10,15H,3,6,8,11-12H2,1-2,4-5H3/b10-7-
InChIKeyBZGMNLAEMQXPLI-YFHOEESVSA-N
MW242.41 g/mol
LogP5.76
Rot. Bonds4

About 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene

1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene (PubChem CID 170619792) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene.

Molecular Properties

Compound Name1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene
PubChem CID170619792
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene
SMILESC=C(/C=C\C=C(C)C)C(=C)C1=C(C)CCCC1C
InChIInChI=1S/C18H26/c1-13(2)9-7-10-14(3)17(6)18-15(4)11-8-12-16(18)5/h7,9-10,15H,3,6,8,11-12H2,1-2,4-5H3/b10-7-
InChIKeyBZGMNLAEMQXPLI-YFHOEESVSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane
CID 144550356
N-(2,6-dimethylcyclohexen-1-yl)-3-methylbut-3-en-2-imine;ethane
CID 143063433
(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
CID 142351999
(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
CID 143520371
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
2-[(1E,3E,5E,7E)-9-methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3-dimethylcyclohexene
CID 143095124
(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one
CID 143095132
(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
N-(2,6-dimethylcyclohexen-1-yl)methanimine
CID 163586439
(3Z)-2-bromo-6-methylhepta-1,3,5-triene
CID 118586502
2-methyl-6-prop-1-en-2-ylcyclohexen-1-ol
CID 66985844
1,2,3,4,5-pentamethylcycloocta-1,3-diene
CID 175510091

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene?
The IUPAC name of 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene (CID 170619792) is 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene.
What is the SMILES notation for 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene?
The canonical SMILES for 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene is C=C(/C=C\C=C(C)C)C(=C)C1=C(C)CCCC1C.
What is the InChIKey of 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene?
The InChIKey is BZGMNLAEMQXPLI-YFHOEESVSA-N. The full InChI is InChI=1S/C18H26/c1-13(2)9-7-10-14(3)17(6)18-15(4)11-8-12-16(18)5/h7,9-10,15H,3,6,8,11-12H2,1-2,4-5H3/b10-7-.
What are the key properties of 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene?
1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene has a molecular weight of 242.41 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4,6-trien-2-yl]cyclohexene is sourced from PubChem (CID 170619792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).