ethane;methoxyethane;methylcyclohexane

C12H28O — CID 161377456

IUPACethane;methoxyethane;methylcyclohexane
SMILESCC.CC1CCCCC1.CCOC
InChIInChI=1S/C7H14.C3H8O.C2H6/c1-7-5-3-2-4-6-7;1-3-4-2;1-2/h7H,2-6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyVRGKYLNPOPJVMO-UHFFFAOYSA-N
MW188.35 g/mol
LogP4.27
Rot. Bonds1

About ethane;methoxyethane;methylcyclohexane

ethane;methoxyethane;methylcyclohexane (PubChem CID 161377456) has the molecular formula C12H28O and a molecular weight of 188.35 g/mol. Its IUPAC name is ethane;methoxyethane;methylcyclohexane.

Molecular Properties

Compound Nameethane;methoxyethane;methylcyclohexane
PubChem CID161377456
Molecular FormulaC12H28O
Molecular Weight188.35 g/mol
Exact Mass188.21
IUPAC Nameethane;methoxyethane;methylcyclohexane
SMILESCC.CC1CCCCC1.CCOC
InChIInChI=1S/C7H14.C3H8O.C2H6/c1-7-5-3-2-4-6-7;1-3-4-2;1-2/h7H,2-6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyVRGKYLNPOPJVMO-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;methoxyethane;methylcyclohexane?
The IUPAC name of ethane;methoxyethane;methylcyclohexane (CID 161377456) is ethane;methoxyethane;methylcyclohexane.
What is the SMILES notation for ethane;methoxyethane;methylcyclohexane?
The canonical SMILES for ethane;methoxyethane;methylcyclohexane is CC.CC1CCCCC1.CCOC.
What is the InChIKey of ethane;methoxyethane;methylcyclohexane?
The InChIKey is VRGKYLNPOPJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H8O.C2H6/c1-7-5-3-2-4-6-7;1-3-4-2;1-2/h7H,2-6H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;methoxyethane;methylcyclohexane?
ethane;methoxyethane;methylcyclohexane has a molecular weight of 188.35 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxyethane;methylcyclohexane is sourced from PubChem (CID 161377456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).