dimethoxymethylidenecyclohexane

C9H16O2 — CID 13085508

IUPACdimethoxymethylidenecyclohexane
SMILESCOC(OC)=C1CCCCC1
InChIInChI=1S/C9H16O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyLIPMTKVDPKCUBO-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds2

About dimethoxymethylidenecyclohexane

dimethoxymethylidenecyclohexane (PubChem CID 13085508) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is dimethoxymethylidenecyclohexane.

Molecular Properties

Compound Namedimethoxymethylidenecyclohexane
PubChem CID13085508
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namedimethoxymethylidenecyclohexane
SMILESCOC(OC)=C1CCCCC1
InChIInChI=1S/C9H16O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyLIPMTKVDPKCUBO-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
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

Diethoxymethylidenecyclohexane
CID 13085507
Lithium cyclohexylidene(methoxy)methanolate
CID 23666053
lithium (Z)-cyclohexylidene(methoxy)methanolate
CID 134831327
3-(Dimethoxymethylidene)pentane
CID 139619701
[Cyclohexylidene(methoxy)methoxy]methyl-dimethylsulfanium
CID 142919977
[Cyclohexylidene(methoxy)methoxy] thiohypoiodite
CID 143500356
[Cyclohexylidene(methoxy)methoxy] thiohypoiodite;ethane
CID 144130466
Cyclohexylidene(methoxy)methanol
CID 13284212
Cyclohexylidene(ethoxy)methanol
CID 14223206
Lithium cyclohexylidene(ethoxy)methanolate
CID 23666719
(Z)-cyclohexylidene(methoxy)methanol
CID 137284856
[2-(Dimethoxymethylidene)cyclohexylidene]methanone
CID 144902265

Frequently Asked Questions

What is the IUPAC name of dimethoxymethylidenecyclohexane?
The IUPAC name of dimethoxymethylidenecyclohexane (CID 13085508) is dimethoxymethylidenecyclohexane.
What is the SMILES notation for dimethoxymethylidenecyclohexane?
The canonical SMILES for dimethoxymethylidenecyclohexane is COC(OC)=C1CCCCC1.
What is the InChIKey of dimethoxymethylidenecyclohexane?
The InChIKey is LIPMTKVDPKCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H2,1-2H3.
What are the key properties of dimethoxymethylidenecyclohexane?
dimethoxymethylidenecyclohexane has a molecular weight of 156.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethylidenecyclohexane is sourced from PubChem (CID 13085508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).