ethane;ethoxymethylcyclohexane;methylcyclohexane

C20H44O — CID 158421123

IUPACethane;ethoxymethylcyclohexane;methylcyclohexane
SMILESCC.CC.CC1CCCCC1.CCOCC1CCCCC1
InChIInChI=1S/C9H18O.C7H14.2C2H6/c1-2-10-8-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;2*1-2/h9H,2-8H2,1H3;7H,2-6H2,1H3;2*1-2H3
InChIKeyHAMRDFPYMLPGKG-UHFFFAOYSA-N
MW300.57 g/mol
LogP7.24
Rot. Bonds3

About ethane;ethoxymethylcyclohexane;methylcyclohexane

ethane;ethoxymethylcyclohexane;methylcyclohexane (PubChem CID 158421123) has the molecular formula C20H44O and a molecular weight of 300.57 g/mol. Its IUPAC name is ethane;ethoxymethylcyclohexane;methylcyclohexane.

Molecular Properties

Compound Nameethane;ethoxymethylcyclohexane;methylcyclohexane
PubChem CID158421123
Molecular FormulaC20H44O
Molecular Weight300.57 g/mol
Exact Mass300.34
IUPAC Nameethane;ethoxymethylcyclohexane;methylcyclohexane
SMILESCC.CC.CC1CCCCC1.CCOCC1CCCCC1
InChIInChI=1S/C9H18O.C7H14.2C2H6/c1-2-10-8-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;2*1-2/h9H,2-8H2,1H3;7H,2-6H2,1H3;2*1-2H3
InChIKeyHAMRDFPYMLPGKG-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.57
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethoxymethylcyclooctane
CID 70370569
ethoxyethane;methylcyclopentane
CID 158455613
1-(cyclohexylmethoxy)-4-methylcyclohexane
CID 21137244
ethane;methylcyclopentane;propane
CID 142080084
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
2-(ethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 118463335
ethanamine;ethane;methylcyclohexane
CID 143506245
methane;methylcyclohexane;propane
CID 143031585
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244

Frequently Asked Questions

What is the IUPAC name of ethane;ethoxymethylcyclohexane;methylcyclohexane?
The IUPAC name of ethane;ethoxymethylcyclohexane;methylcyclohexane (CID 158421123) is ethane;ethoxymethylcyclohexane;methylcyclohexane.
What is the SMILES notation for ethane;ethoxymethylcyclohexane;methylcyclohexane?
The canonical SMILES for ethane;ethoxymethylcyclohexane;methylcyclohexane is CC.CC.CC1CCCCC1.CCOCC1CCCCC1.
What is the InChIKey of ethane;ethoxymethylcyclohexane;methylcyclohexane?
The InChIKey is HAMRDFPYMLPGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C7H14.2C2H6/c1-2-10-8-9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;2*1-2/h9H,2-8H2,1H3;7H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;ethoxymethylcyclohexane;methylcyclohexane?
ethane;ethoxymethylcyclohexane;methylcyclohexane has a molecular weight of 300.57 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethoxymethylcyclohexane;methylcyclohexane is sourced from PubChem (CID 158421123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).