ethane;1-(methoxymethylidene)-4-methylcyclohexane

C11H22O — CID 143018857

IUPACethane;1-(methoxymethylidene)-4-methylcyclohexane
SMILESCC.COC=C1CCC(C)CC1
InChIInChI=1S/C9H16O.C2H6/c1-8-3-5-9(6-4-8)7-10-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/b9-7-;
InChIKeyWNNYKLDJWIYWJD-VILQZVERSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds1

About ethane;1-(methoxymethylidene)-4-methylcyclohexane

ethane;1-(methoxymethylidene)-4-methylcyclohexane (PubChem CID 143018857) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;1-(methoxymethylidene)-4-methylcyclohexane.

Molecular Properties

Compound Nameethane;1-(methoxymethylidene)-4-methylcyclohexane
PubChem CID143018857
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameethane;1-(methoxymethylidene)-4-methylcyclohexane
SMILESCC.COC=C1CCC(C)CC1
InChIInChI=1S/C9H16O.C2H6/c1-8-3-5-9(6-4-8)7-10-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/b9-7-;
InChIKeyWNNYKLDJWIYWJD-VILQZVERSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Cyclohexane, 1-(1,1-dimethylethyl)-4-(methoxymethylene)-
CID 10877774
[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
1-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
2-Methoxyethenylcyclohexane
CID 57065092
1-(Methoxymethylidene)-4-(trifluoromethyl)cyclohexane
CID 68212335
(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene
CID 89329967
1-(Methoxymethyl)-4-methylidenecyclohexane
CID 10725435
(Ethoxymethylene)cyclohexane
CID 12361524
4-Methoxymethylene-1,1-dimethyl-cyclohexane
CID 58908667
[4-(Methoxymethylidene)cyclohexyl]cycloheptane
CID 118360343
(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane
CID 12838344

Frequently Asked Questions

What is the IUPAC name of ethane;1-(methoxymethylidene)-4-methylcyclohexane?
The IUPAC name of ethane;1-(methoxymethylidene)-4-methylcyclohexane (CID 143018857) is ethane;1-(methoxymethylidene)-4-methylcyclohexane.
What is the SMILES notation for ethane;1-(methoxymethylidene)-4-methylcyclohexane?
The canonical SMILES for ethane;1-(methoxymethylidene)-4-methylcyclohexane is CC.COC=C1CCC(C)CC1.
What is the InChIKey of ethane;1-(methoxymethylidene)-4-methylcyclohexane?
The InChIKey is WNNYKLDJWIYWJD-VILQZVERSA-N. The full InChI is InChI=1S/C9H16O.C2H6/c1-8-3-5-9(6-4-8)7-10-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/b9-7-;.
What are the key properties of ethane;1-(methoxymethylidene)-4-methylcyclohexane?
ethane;1-(methoxymethylidene)-4-methylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methoxymethylidene)-4-methylcyclohexane is sourced from PubChem (CID 143018857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).