1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene

C15H22O2 — CID 138515541

IUPAC1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene
SMILESCCOc1cc(=C(C)C)c(OC)cc1=C(C)C
InChIInChI=1S/C15H22O2/c1-7-17-15-9-12(10(2)3)14(16-6)8-13(15)11(4)5/h8-9H,7H2,1-6H3
InChIKeyCNENNYXBOHJOMZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.47
Rot. Bonds3

About 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene

1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene (PubChem CID 138515541) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene.

Molecular Properties

Compound Name1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene
PubChem CID138515541
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene
SMILESCCOc1cc(=C(C)C)c(OC)cc1=C(C)C
InChIInChI=1S/C15H22O2/c1-7-17-15-9-12(10(2)3)14(16-6)8-13(15)11(4)5/h8-9H,7H2,1-6H3
InChIKeyCNENNYXBOHJOMZ-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
CID 164893391
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
1-ethoxy-3-methoxy-2,5-dimethylbenzene
CID 59933516
1,4-bis(4-ethoxy-3-methoxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
CID 85391342
2-[(4Z)-4-(1-cyanoprop-2-ynylidene)-2,5-diethoxycyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 58569902
3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
CID 102460530
2-ethoxy-4,5-dimethylphenol
CID 82053903
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
The IUPAC name of 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene (CID 138515541) is 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene.
What is the SMILES notation for 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
The canonical SMILES for 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene is CCOc1cc(=C(C)C)c(OC)cc1=C(C)C.
What is the InChIKey of 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
The InChIKey is CNENNYXBOHJOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-7-17-15-9-12(10(2)3)14(16-6)8-13(15)11(4)5/h8-9H,7H2,1-6H3.
What are the key properties of 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene?
1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene has a molecular weight of 234.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene is sourced from PubChem (CID 138515541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).