2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene

C13H20O2 — CID 170343580

IUPAC2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene
SMILESCCC1=C(OC)CC=C(C)C(COC)=C1
InChIInChI=1S/C13H20O2/c1-5-11-8-12(9-14-3)10(2)6-7-13(11)15-4/h6,8H,5,7,9H2,1-4H3
InChIKeyJFRCHGYEVHWZFK-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds4

About 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene

2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene (PubChem CID 170343580) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene
PubChem CID170343580
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene
SMILESCCC1=C(OC)CC=C(C)C(COC)=C1
InChIInChI=1S/C13H20O2/c1-5-11-8-12(9-14-3)10(2)6-7-13(11)15-4/h6,8H,5,7,9H2,1-4H3
InChIKeyJFRCHGYEVHWZFK-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinceoxepine
CID 131752304
2,3,6,7-Tetrahydro-4-methyl-2-((1E)-3-methyl-1,3-butadien-1-yl)oxepin
CID 14805464
2-Methoxy-5-(methoxymethyl)-2,5-cyclohexadiene
CID 21546448
4-Ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875
3-Ethyl-5-fluoro-2-methoxycyclohepta-1,3,5-triene
CID 143613082
1-(Fluoromethyl)-5-methoxy-4-(1-methoxy-2-methylpropan-2-yl)cyclohepta-1,3,5-triene
CID 144441714
(4Z,6E)-5-fluoro-4-methoxy-6-(methoxymethyl)-2-methylnona-2,4,6-triene
CID 144455716
(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-fluoro-3-methyl-1-[(E)-pent-2-enoxy]cyclohepta-1,3,5-triene
CID 143949032
(3Z,6E)-3,4-difluoro-2,9-dimethoxy-6-methyl-5-methylidenedeca-1,3,6-triene
CID 144164084
2-[(3E,5Z)-3,7-diethoxy-5-methylhepta-3,5-dien-2-yl]-5-fluorocyclohepta-1,3,5-triene
CID 144334915
(3Z)-3-fluoro-4-methoxy-2-(methoxymethyl)-6-methylhepta-1,3,5-triene
CID 144455709

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene?
The IUPAC name of 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene (CID 170343580) is 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene is CCC1=C(OC)CC=C(C)C(COC)=C1.
What is the InChIKey of 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene?
The InChIKey is JFRCHGYEVHWZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-11-8-12(9-14-3)10(2)6-7-13(11)15-4/h6,8H,5,7,9H2,1-4H3.
What are the key properties of 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene?
2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene has a molecular weight of 208.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 170343580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).