ethane;1-ethoxy-4-methylcyclohexane

C11H24O — CID 145107105

IUPACethane;1-ethoxy-4-methylcyclohexane
SMILESCC.CCOC1CCC(C)CC1
InChIInChI=1S/C9H18O.C2H6/c1-3-10-9-6-4-8(2)5-7-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyGMZCTZMPHBTNQI-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds2

About ethane;1-ethoxy-4-methylcyclohexane

ethane;1-ethoxy-4-methylcyclohexane (PubChem CID 145107105) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is ethane;1-ethoxy-4-methylcyclohexane.

Molecular Properties

Compound Nameethane;1-ethoxy-4-methylcyclohexane
PubChem CID145107105
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Nameethane;1-ethoxy-4-methylcyclohexane
SMILESCC.CCOC1CCC(C)CC1
InChIInChI=1S/C9H18O.C2H6/c1-3-10-9-6-4-8(2)5-7-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyGMZCTZMPHBTNQI-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethoxycyclooctane
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2-ethoxy-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
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azane;ethoxycyclooctane
CID 70271275
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 71106589
1-ethoxy-4-hexoxycyclohexane
CID 147022477
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
1-(3-bromo-2,2-dimethylpropoxy)-4-methylcyclohexane
CID 64994565
1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
CID 137428589
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
4-ethoxypiperidin-1-ium
CID 42426701
1-(4-methylcyclohexyl)oxypentan-2-amine
CID 62041477

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-4-methylcyclohexane?
The IUPAC name of ethane;1-ethoxy-4-methylcyclohexane (CID 145107105) is ethane;1-ethoxy-4-methylcyclohexane.
What is the SMILES notation for ethane;1-ethoxy-4-methylcyclohexane?
The canonical SMILES for ethane;1-ethoxy-4-methylcyclohexane is CC.CCOC1CCC(C)CC1.
What is the InChIKey of ethane;1-ethoxy-4-methylcyclohexane?
The InChIKey is GMZCTZMPHBTNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C2H6/c1-3-10-9-6-4-8(2)5-7-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethoxy-4-methylcyclohexane?
ethane;1-ethoxy-4-methylcyclohexane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-4-methylcyclohexane is sourced from PubChem (CID 145107105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).