[1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane

C16H32O2 — CID 22598182

IUPAC[1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane
SMILESCCCCCC(COC)(COC)C1CCCCC1
InChIInChI=1S/C16H32O2/c1-4-5-9-12-16(13-17-2,14-18-3)15-10-7-6-8-11-15/h15H,4-14H2,1-3H3
InChIKeySOTFOEWFPLSDMY-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.43
Rot. Bonds9

About [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane

[1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane (PubChem CID 22598182) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane.

Molecular Properties

Compound Name[1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane
PubChem CID22598182
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name[1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane
SMILESCCCCCC(COC)(COC)C1CCCCC1
InChIInChI=1S/C16H32O2/c1-4-5-9-12-16(13-17-2,14-18-3)15-10-7-6-8-11-15/h15H,4-14H2,1-3H3
InChIKeySOTFOEWFPLSDMY-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl-4-(methoxymethyl)cyclohexane
CID 134855077
[6,6,6-Trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane
CID 170712694
[5-Fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
CID 174162021
[1-Ethoxy-2-(ethoxymethyl)-5,5-difluoro-7-methyloctan-2-yl]cyclohexane
CID 174162053
[1-Ethoxy-5,5-difluoro-2-(methoxymethyl)hexan-2-yl]cyclohexane
CID 174162128
1-[5-Fluoro-7-methyl-5-(2-methylpropyl)-1-propoxy-2-(propoxymethyl)octan-2-yl]-3-methylcyclohexane
CID 174162145
1-[1-Ethoxy-2-(ethoxymethyl)-5,5-difluoro-7-methyloctan-2-yl]-4-methylcyclohexane
CID 174162169
2-[1-Ethoxy-2-(ethoxymethyl)-5-fluoro-8-methyl-5-(3-methylbutyl)nonan-2-yl]-4-methyl-1-propan-2-ylcyclohexane
CID 174162171
1-[1-Ethoxy-2-(ethoxymethyl)-5-fluoro-8-methyl-5-(3-methylbutyl)nonan-2-yl]-4-methylcyclohexane
CID 174162178
1-[5-Fluoro-7-methyl-5-(2-methylpropyl)-1-propoxy-2-(propoxymethyl)octan-2-yl]-3,5-dimethylcyclohexane
CID 174162195
[5,5-Difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 174162236
[5-Fluoro-1-methoxy-2-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octan-2-yl]cyclohexane
CID 174162253

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane?
The IUPAC name of [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane (CID 22598182) is [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane.
What is the SMILES notation for [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane?
The canonical SMILES for [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane is CCCCCC(COC)(COC)C1CCCCC1.
What is the InChIKey of [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane?
The InChIKey is SOTFOEWFPLSDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-9-12-16(13-17-2,14-18-3)15-10-7-6-8-11-15/h15H,4-14H2,1-3H3.
What are the key properties of [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane?
[1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane has a molecular weight of 256.43 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane is sourced from PubChem (CID 22598182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).