[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane

C20H30O2 — CID 143963194

IUPAC[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane
SMILESC=C/C=C(\C=C(C)C)OC(=C)/C=C(\COC)C1CCCCC1
InChIInChI=1S/C20H30O2/c1-6-10-20(13-16(2)3)22-17(4)14-19(15-21-5)18-11-8-7-9-12-18/h6,10,13-14,18H,1,4,7-9,11-12,15H2,2-3,5H3/b19-14+,20-10+
InChIKeyRCXPXOIYQGMHLV-AIIDXRDLSA-N
MW302.46 g/mol
LogP5.71
Rot. Bonds8

About [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane

[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane (PubChem CID 143963194) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane.

Molecular Properties

Compound Name[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane
PubChem CID143963194
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane
SMILESC=C/C=C(\C=C(C)C)OC(=C)/C=C(\COC)C1CCCCC1
InChIInChI=1S/C20H30O2/c1-6-10-20(13-16(2)3)22-17(4)14-19(15-21-5)18-11-8-7-9-12-18/h6,10,13-14,18H,1,4,7-9,11-12,15H2,2-3,5H3/b19-14+,20-10+
InChIKeyRCXPXOIYQGMHLV-AIIDXRDLSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane 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

[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane;propan-2-ylcyclohexane
CID 143963193
[(3E)-6-methylhepta-3,5-dien-3-yl]cyclohexane
CID 142840542
(3E)-4-methoxy-6-methylhepta-1,3,5-triene
CID 88949274
[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
ethane;[(3E)-6-methylhepta-1,3,5-trien-3-yl] cyclohexanecarboxylate
CID 145229171
ethane;methyl cyclohexanecarboxylate;(3Z)-3-methylhexa-1,3,5-triene
CID 143623579
[(3E)-hexa-1,3,5-trien-3-yl] N-cyclohexylcarbamate
CID 154687231
(2E,4E)-5-cyclohexyl-2-ethenylhepta-2,4-dienamide
CID 130460991
2-methylprop-2-enyl cyclohexanecarboxylate
CID 18622419
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
(1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine
CID 89170110

Frequently Asked Questions

What is the IUPAC name of [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane?
The IUPAC name of [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane (CID 143963194) is [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane.
What is the SMILES notation for [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane?
The canonical SMILES for [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane is C=C/C=C(\C=C(C)C)OC(=C)/C=C(\COC)C1CCCCC1.
What is the InChIKey of [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane?
The InChIKey is RCXPXOIYQGMHLV-AIIDXRDLSA-N. The full InChI is InChI=1S/C20H30O2/c1-6-10-20(13-16(2)3)22-17(4)14-19(15-21-5)18-11-8-7-9-12-18/h6,10,13-14,18H,1,4,7-9,11-12,15H2,2-3,5H3/b19-14+,20-10+.
What are the key properties of [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane?
[(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane has a molecular weight of 302.46 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-1-methoxy-4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]oxypenta-2,4-dien-2-yl]cyclohexane is sourced from PubChem (CID 143963194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).