cyclohexane;4-methyloxane

C12H24O — CID 144563977

IUPACcyclohexane;4-methyloxane
SMILESC1CCCCC1.CC1CCOCC1
InChIInChI=1S/C6H12O.C6H12/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h6H,2-5H2,1H3;1-6H2
InChIKeyBATTYDKXWYZLLW-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds

About cyclohexane;4-methyloxane

cyclohexane;4-methyloxane (PubChem CID 144563977) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is cyclohexane;4-methyloxane.

Molecular Properties

Compound Namecyclohexane;4-methyloxane
PubChem CID144563977
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namecyclohexane;4-methyloxane
SMILESC1CCCCC1.CC1CCOCC1
InChIInChI=1S/C6H12O.C6H12/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h6H,2-5H2,1H3;1-6H2
InChIKeyBATTYDKXWYZLLW-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methanamine;4-methyloxane
CID 139388754
ethane;methane;4-methyloxane;molecular hydrogen
CID 143791951
ethane;4-methyloxane;3-methyloxolane
CID 170734292
ethane;methylcyclohexane;oxane
CID 143182173
ethane;ethene;methanol;4-methyloxane
CID 143101227
(3S)-3-methyloxolane
CID 7857636
methane;methylcyclobutane;3-methyloxolane
CID 160852925
(6Z)-4-methyl-1-oxacyclopentadec-6-ene
CID 67429404
2,2-dimethylpropane;methylcyclohexane;methylcyclopentane;methylcyclopropane;4-methyloxane;3-methylpentane;2-methylpropane
CID 159754047
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
methylcyclohexane;3-methyloxane
CID 144617317

Frequently Asked Questions

What is the IUPAC name of cyclohexane;4-methyloxane?
The IUPAC name of cyclohexane;4-methyloxane (CID 144563977) is cyclohexane;4-methyloxane.
What is the SMILES notation for cyclohexane;4-methyloxane?
The canonical SMILES for cyclohexane;4-methyloxane is C1CCCCC1.CC1CCOCC1.
What is the InChIKey of cyclohexane;4-methyloxane?
The InChIKey is BATTYDKXWYZLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C6H12/c1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h6H,2-5H2,1H3;1-6H2.
What are the key properties of cyclohexane;4-methyloxane?
cyclohexane;4-methyloxane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;4-methyloxane is sourced from PubChem (CID 144563977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).