1-ethoxy-3-methoxy-2-methylcyclohexane

C10H20O2 — CID 549300

IUPAC1-ethoxy-3-methoxy-2-methylcyclohexane
SMILESCCOC1CCCC(OC)C1C
InChIInChI=1S/C10H20O2/c1-4-12-10-7-5-6-9(11-3)8(10)2/h8-10H,4-7H2,1-3H3
InChIKeyASNISKPMQYQWOY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 1-ethoxy-3-methoxy-2-methylcyclohexane

1-ethoxy-3-methoxy-2-methylcyclohexane (PubChem CID 549300) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethoxy-3-methoxy-2-methylcyclohexane.

Molecular Properties

Compound Name1-ethoxy-3-methoxy-2-methylcyclohexane
PubChem CID549300
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-ethoxy-3-methoxy-2-methylcyclohexane
SMILESCCOC1CCCC(OC)C1C
InChIInChI=1S/C10H20O2/c1-4-12-10-7-5-6-9(11-3)8(10)2/h8-10H,4-7H2,1-3H3
InChIKeyASNISKPMQYQWOY-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylcyclohexyl butyl ether
CID 77401032
1,3-Dimethoxy-2-methylcyclohexane
CID 547135
cis-3,5-Dimethoxymethylcyclohexane
CID 547290
3-cis-Methoxy-2-cis-methyl-1R-cyclohexanol
CID 549391
1R-Ethoxy-3-cis-methoxy-5-cis-methylcyclohexane
CID 547218
1,3-Diethoxy-2-methylcyclohexane
CID 551673
1,3-Diethoxy-5-methylcyclohexane
CID 551764
1-Methoxy-2-(methoxymethyl)cyclohexane
CID 12450306
1-Ethyl-3,5-dimethoxycyclohexane
CID 20726910
1-Methyl-2-propan-2-yloxycyclohexane
CID 20782635
1,3-Bis(tert-butylperoxy)-2-methylcyclohexane
CID 21903636
2,6-Dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane
CID 22020682

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methoxy-2-methylcyclohexane?
The IUPAC name of 1-ethoxy-3-methoxy-2-methylcyclohexane (CID 549300) is 1-ethoxy-3-methoxy-2-methylcyclohexane.
What is the SMILES notation for 1-ethoxy-3-methoxy-2-methylcyclohexane?
The canonical SMILES for 1-ethoxy-3-methoxy-2-methylcyclohexane is CCOC1CCCC(OC)C1C.
What is the InChIKey of 1-ethoxy-3-methoxy-2-methylcyclohexane?
The InChIKey is ASNISKPMQYQWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-12-10-7-5-6-9(11-3)8(10)2/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-3-methoxy-2-methylcyclohexane?
1-ethoxy-3-methoxy-2-methylcyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methoxy-2-methylcyclohexane is sourced from PubChem (CID 549300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).