2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene

C17H28O3 — CID 148693564

IUPAC2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene
SMILESCOC1=CCC(CCO[C@@H]2CCCC[C@@H]2C)C=C1OC
InChIInChI=1S/C17H28O3/c1-13-6-4-5-7-15(13)20-11-10-14-8-9-16(18-2)17(12-14)19-3/h9,12-15H,4-8,10-11H2,1-3H3/t13-,14?,15+/m0/s1
InChIKeyNTYRJZOUXDEVCK-ZHDDOTHNSA-N
MW280.41 g/mol
LogP4.05
Rot. Bonds6

About 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene

2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene (PubChem CID 148693564) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene
PubChem CID148693564
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene
SMILESCOC1=CCC(CCO[C@@H]2CCCC[C@@H]2C)C=C1OC
InChIInChI=1S/C17H28O3/c1-13-6-4-5-7-15(13)20-11-10-14-8-9-16(18-2)17(12-14)19-3/h9,12-15H,4-8,10-11H2,1-3H3/t13-,14?,15+/m0/s1
InChIKeyNTYRJZOUXDEVCK-ZHDDOTHNSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13300108
2-Cyclohexyl-3-methoxy-2,5-dihydrofuran
CID 102055860
5-Butan-2-yl-2-cyclohexyloxycyclohexa-1,3-diene
CID 68178000
5-(Cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene
CID 69280287
5-(Cyclohexylmethoxy)-5-ethenyl-1-ethoxycyclohexa-1,3-diene
CID 69615252
5-[2-(1-Cyclohexylethoxy)ethenyl]-5-ethoxycyclohexa-1,3-diene
CID 140824413
6-Methoxy-2-[2-(2-prop-2-enoxycyclohexyl)ethyl]cyclohexa-1,3-diene
CID 146438918
3-butyl-6-(1-methoxyethenyl)-2-pentan-2-yl-3,4-dihydro-2H-pyran;ethane
CID 153543987
7-Ethyl-2,3,4a,5,6,7-hexahydro-1,4-benzodioxine
CID 155182669
(2R,3R,6S)-2-[[(2R,5E)-7-(2-ethylbutoxy)octa-5,7-dien-2-yl]oxymethyl]-3,5,6-trimethyloxane
CID 155735548
4,5-dimethoxy-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene
CID 163690541
1-[(2-Methylcyclohexyl)oxymethyl]cyclohexa-1,3-diene
CID 164154018

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene?
The IUPAC name of 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene (CID 148693564) is 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene?
The canonical SMILES for 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene is COC1=CCC(CCO[C@@H]2CCCC[C@@H]2C)C=C1OC.
What is the InChIKey of 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene?
The InChIKey is NTYRJZOUXDEVCK-ZHDDOTHNSA-N. The full InChI is InChI=1S/C17H28O3/c1-13-6-4-5-7-15(13)20-11-10-14-8-9-16(18-2)17(12-14)19-3/h9,12-15H,4-8,10-11H2,1-3H3/t13-,14?,15+/m0/s1.
What are the key properties of 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene?
2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene has a molecular weight of 280.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]cyclohexa-1,3-diene is sourced from PubChem (CID 148693564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).