2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine

C14H18O3 — CID 67053423

IUPAC2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESCOC1=C(C2=COC=CO2)CCC=C1C(C)C
InChIInChI=1S/C14H18O3/c1-10(2)11-5-4-6-12(14(11)15-3)13-9-16-7-8-17-13/h5,7-10H,4,6H2,1-3H3
InChIKeyXIDFLJGVVFWNMY-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine

2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 67053423) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID67053423
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESCOC1=C(C2=COC=CO2)CCC=C1C(C)C
InChIInChI=1S/C14H18O3/c1-10(2)11-5-4-6-12(14(11)15-3)13-9-16-7-8-17-13/h5,7-10H,4,6H2,1-3H3
InChIKeyXIDFLJGVVFWNMY-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 57454155
2-(3-Fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 57454156
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420
(3E)-3-fluoro-2,8-dimethoxy-6-methyl-5-methylideneocta-1,3-diene
CID 172276448
Tetrahydropyrano[2,3-g]chromene
CID 129680432
4,5-Dihydropyrano[4,3-b]pyran
CID 129833209
2-cyclohex-2-en-1-yl-4-methyl-2H-pyran
CID 53438111
2-[(2S)-2-methylbutoxy]cyclohexa-1,3-diene
CID 18636075
2,4-Dimethoxy-1-methyl-2,3-dihydronaphthalene
CID 18740202
1,2-Dimethoxy-6-methylcyclohexa-1,3-diene
CID 19612221

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 67053423) is 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine is COC1=C(C2=COC=CO2)CCC=C1C(C)C.
What is the InChIKey of 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is XIDFLJGVVFWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)11-5-4-6-12(14(11)15-3)13-9-16-7-8-17-13/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine has a molecular weight of 234.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 67053423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).