1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane

C10H18O2 — CID 139615355

IUPAC1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane
SMILESCOC=C1CCC(COC)CC1
InChIInChI=1S/C10H18O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h7,10H,3-6,8H2,1-2H3/b9-7-
InChIKeyXDOWNSRCLKTFRD-CLFYSBASSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane

1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane (PubChem CID 139615355) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane
PubChem CID139615355
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane
SMILESCOC=C1CCC(COC)CC1
InChIInChI=1S/C10H18O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h7,10H,3-6,8H2,1-2H3/b9-7-
InChIKeyXDOWNSRCLKTFRD-CLFYSBASSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Methoxy-vinyl)-cyclohexane
CID 18381009
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
1-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
Cyclohexyl divinyl ether
CID 57018671
Oxabicyclo[3.3.1]nonene
CID 138454734
Cyclohexane, 1-(ethoxymethyl)-4-methylene-
CID 564665
tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-en-2-yl]stannane
CID 14970173
Oxabicyclo[10.4.0]hexadecene
CID 129803099
(4S,7S)-4,7-dimethyl-4,4a,5,6,7,8-hexahydro-3H-isochromene
CID 134896061
[(Z)-1-deuteriohex-1-enoxy]methylcyclohexane
CID 134987913
(5-Methoxy-1-methylenepentyl)cyclohexane
CID 3022783
3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-1-ol
CID 10465007

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane (CID 139615355) is 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane is COC=C1CCC(COC)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane?
The InChIKey is XDOWNSRCLKTFRD-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h7,10H,3-6,8H2,1-2H3/b9-7-.
What are the key properties of 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane?
1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(methoxymethylidene)cyclohexane is sourced from PubChem (CID 139615355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).