4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene

C12H20O2 — CID 90907248

IUPAC4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(OCC)C(OC)C1
InChIInChI=1S/C12H20O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h7-8,12H,4-6,9H2,1-3H3
InChIKeyCPEIFVBMKZWRNY-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds5

About 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene

4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene (PubChem CID 90907248) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene
PubChem CID90907248
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(OCC)C(OC)C1
InChIInChI=1S/C12H20O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h7-8,12H,4-6,9H2,1-3H3
InChIKeyCPEIFVBMKZWRNY-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434
3-methyl-2-octyl-2H-pyran
CID 85787136
5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-pentyloxane
CID 143889248
5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethyloxane
CID 143889593
(2E,3Z)-2-ethylidene-3-(2-fluoroethylidene)-6-propyloxane
CID 144232410
(2S,6S)-2-(3,3-dimethyl-2H-furan-5-yl)-6-methyloxane
CID 73333010
2,10,13,17,20,24-Hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),11,22-tetraene
CID 91247030
5-methylidene-2-pentyl-2H-pyran
CID 101746192
(5R,6S)-5,6-diethoxy-1-methylcyclohexa-1,3-diene
CID 134888756

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene?
The IUPAC name of 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene (CID 90907248) is 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene.
What is the SMILES notation for 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene?
The canonical SMILES for 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene is CCCC1=CC=C(OCC)C(OC)C1.
What is the InChIKey of 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene?
The InChIKey is CPEIFVBMKZWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h7-8,12H,4-6,9H2,1-3H3.
What are the key properties of 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene?
4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene has a molecular weight of 196.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene is sourced from PubChem (CID 90907248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).