1-ethoxy-3-methoxy-5-methylcyclohexane

C10H20O2 — CID 547218

IUPAC1-ethoxy-3-methoxy-5-methylcyclohexane
SMILESCCOC1CC(C)CC(OC)C1
InChIInChI=1S/C10H20O2/c1-4-12-10-6-8(2)5-9(7-10)11-3/h8-10H,4-7H2,1-3H3
InChIKeyUGXGECZSYAVIFJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 1-ethoxy-3-methoxy-5-methylcyclohexane

1-ethoxy-3-methoxy-5-methylcyclohexane (PubChem CID 547218) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethoxy-3-methoxy-5-methylcyclohexane.

Molecular Properties

Compound Name1-ethoxy-3-methoxy-5-methylcyclohexane
PubChem CID547218
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-ethoxy-3-methoxy-5-methylcyclohexane
SMILESCCOC1CC(C)CC(OC)C1
InChIInChI=1S/C10H20O2/c1-4-12-10-6-8(2)5-9(7-10)11-3/h8-10H,4-7H2,1-3H3
InChIKeyUGXGECZSYAVIFJ-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

1-(Difluoromethyl)-3,5-dimethoxycyclohexane
CID 152181486
1,3-Dimethoxy-2-methylcyclohexane
CID 547135
cis-3,5-Dimethoxymethylcyclohexane
CID 547290
3-cis-Methoxy-5-trans-methyl-1R-cyclohexanol
CID 549383
1-Methyl-3-propan-2-yloxycyclohexane
CID 5319690
1R-Ethoxy-3-cis-methoxy-2-trans-methylcyclohexane
CID 549300
1,3-Diethoxy-2-methylcyclohexane
CID 551673
1,3-Diethoxy-5-methylcyclohexane
CID 551764
[(1S,3S,5S)-3-methoxy-5-methylcyclohexyl]oxy-trimethylsilane
CID 101606732
[(1S,3R,5R)-3-methoxy-5-methylcyclohexyl]oxy-trimethylsilane
CID 101606734
[(1S,3S,5R)-3-methoxy-5-methylcyclohexyl]oxy-trimethylsilane
CID 101607041
[(1S,3R,5S)-3-methoxy-5-methylcyclohexyl]oxy-trimethylsilane
CID 101607043

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methoxy-5-methylcyclohexane?
The IUPAC name of 1-ethoxy-3-methoxy-5-methylcyclohexane (CID 547218) is 1-ethoxy-3-methoxy-5-methylcyclohexane.
What is the SMILES notation for 1-ethoxy-3-methoxy-5-methylcyclohexane?
The canonical SMILES for 1-ethoxy-3-methoxy-5-methylcyclohexane is CCOC1CC(C)CC(OC)C1.
What is the InChIKey of 1-ethoxy-3-methoxy-5-methylcyclohexane?
The InChIKey is UGXGECZSYAVIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-12-10-6-8(2)5-9(7-10)11-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-3-methoxy-5-methylcyclohexane?
1-ethoxy-3-methoxy-5-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-5-methylcyclohexane is sourced from PubChem (CID 547218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).