6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene

C19H26O2 — CID 123885789

IUPAC6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene
SMILESC=C(C(=CC=CC)COC)C(=CC1C=C(C)C=CC1)OC
InChIInChI=1S/C19H26O2/c1-6-7-11-18(14-20-4)16(3)19(21-5)13-17-10-8-9-15(2)12-17/h6-9,11-13,17H,3,10,14H2,1-2,4-5H3
InChIKeyNVMRKNXYJRGZPM-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.74
Rot. Bonds7

About 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene

6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene (PubChem CID 123885789) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene
PubChem CID123885789
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene
SMILESC=C(C(=CC=CC)COC)C(=CC1C=C(C)C=CC1)OC
InChIInChI=1S/C19H26O2/c1-6-7-11-18(14-20-4)16(3)19(21-5)13-17-10-8-9-15(2)12-17/h6-9,11-13,17H,3,10,14H2,1-2,4-5H3
InChIKeyNVMRKNXYJRGZPM-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.74
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'}

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Related Compounds

6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
2,4-Dimethoxy-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene
CID 11244547
7-Cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene
CID 134982469
2-[(3E,5Z)-3,7-diethoxy-5-methylhepta-3,5-dien-2-yl]-5-fluorocyclohepta-1,3,5-triene
CID 144334915
(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 145122720
2,4-Dimethoxy-8,10,12-trimethylbenzo[a]heptalene
CID 101721111
2-[(2S)-2-methylbutoxy]cyclohexa-1,3-diene
CID 18636075
1,2-Dimethoxy-6-methylcyclohexa-1,3-diene
CID 19612221
6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran
CID 20732852
4,5-bis(methoxymethyl)-2H-pyran
CID 23374306
2-deca-2,4,6-trien-2-yl-5-methyl-2H-pyran
CID 57004453

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene?
The IUPAC name of 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene (CID 123885789) is 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene is C=C(C(=CC=CC)COC)C(=CC1C=C(C)C=CC1)OC.
What is the InChIKey of 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene?
The InChIKey is NVMRKNXYJRGZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-6-7-11-18(14-20-4)16(3)19(21-5)13-17-10-8-9-15(2)12-17/h6-9,11-13,17H,3,10,14H2,1-2,4-5H3.
What are the key properties of 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene?
6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene has a molecular weight of 286.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-(methoxymethyl)-3-methylideneocta-1,4,6-trienyl]-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123885789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).