1,3-diethoxy-2-methylcyclohexane

C11H22O2 — CID 551673

IUPAC1,3-diethoxy-2-methylcyclohexane
SMILESCCOC1CCCC(OCC)C1C
InChIInChI=1S/C11H22O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h9-11H,4-8H2,1-3H3
InChIKeyKZVBOBAOWYIZAW-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds4

About 1,3-diethoxy-2-methylcyclohexane

1,3-diethoxy-2-methylcyclohexane (PubChem CID 551673) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1,3-diethoxy-2-methylcyclohexane.

Molecular Properties

Compound Name1,3-diethoxy-2-methylcyclohexane
PubChem CID551673
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1,3-diethoxy-2-methylcyclohexane
SMILESCCOC1CCCC(OCC)C1C
InChIInChI=1S/C11H22O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h9-11H,4-8H2,1-3H3
InChIKeyKZVBOBAOWYIZAW-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.62
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
1R-Ethoxy-3-cis-methoxy-2-trans-methylcyclohexane
CID 549300
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 1,3-diethoxy-2-methylcyclohexane?
The IUPAC name of 1,3-diethoxy-2-methylcyclohexane (CID 551673) is 1,3-diethoxy-2-methylcyclohexane.
What is the SMILES notation for 1,3-diethoxy-2-methylcyclohexane?
The canonical SMILES for 1,3-diethoxy-2-methylcyclohexane is CCOC1CCCC(OCC)C1C.
What is the InChIKey of 1,3-diethoxy-2-methylcyclohexane?
The InChIKey is KZVBOBAOWYIZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 1,3-diethoxy-2-methylcyclohexane?
1,3-diethoxy-2-methylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2-methylcyclohexane is sourced from PubChem (CID 551673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).