ethane;methylcyclohexane;oxane

C14H30O — CID 143182173

IUPACethane;methylcyclohexane;oxane
SMILESC1CCOCC1.CC.CC1CCCCC1
InChIInChI=1S/C7H14.C5H10O.C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2/h7H,2-6H2,1H3;1-5H2;1-2H3
InChIKeyIREMLJSIPYMUIT-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.80
Rot. Bonds

About ethane;methylcyclohexane;oxane

ethane;methylcyclohexane;oxane (PubChem CID 143182173) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is ethane;methylcyclohexane;oxane.

Molecular Properties

Compound Nameethane;methylcyclohexane;oxane
PubChem CID143182173
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Nameethane;methylcyclohexane;oxane
SMILESC1CCOCC1.CC.CC1CCCCC1
InChIInChI=1S/C7H14.C5H10O.C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2/h7H,2-6H2,1H3;1-5H2;1-2H3
InChIKeyIREMLJSIPYMUIT-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methylcyclohexane;methylcyclopentane
CID 159395989
cyclohexane;4-methyloxane
CID 144563977
methylcyclohexane;3-methyloxane
CID 144617317
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
3-methyloxane;oxolane
CID 139878979
ethane;methylcyclooctane;molecular hydrogen
CID 142068181
gallane;methylcyclohexane
CID 174461507

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;oxane?
The IUPAC name of ethane;methylcyclohexane;oxane (CID 143182173) is ethane;methylcyclohexane;oxane.
What is the SMILES notation for ethane;methylcyclohexane;oxane?
The canonical SMILES for ethane;methylcyclohexane;oxane is C1CCOCC1.CC.CC1CCCCC1.
What is the InChIKey of ethane;methylcyclohexane;oxane?
The InChIKey is IREMLJSIPYMUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C5H10O.C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2/h7H,2-6H2,1H3;1-5H2;1-2H3.
What are the key properties of ethane;methylcyclohexane;oxane?
ethane;methylcyclohexane;oxane has a molecular weight of 214.39 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclohexane;oxane is sourced from PubChem (CID 143182173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).