[1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane

C18H34O2 — CID 22020719

IUPAC[1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane
SMILESCOCC(COC)(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O2/c1-19-14-18(15-20-2,17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h16-17H,3-15H2,1-2H3
InChIKeyVDZDYDLIDXQASZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.82
Rot. Bonds7

About [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane

[1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane (PubChem CID 22020719) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name[1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane
PubChem CID22020719
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name[1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane
SMILESCOCC(COC)(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O2/c1-19-14-18(15-20-2,17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h16-17H,3-15H2,1-2H3
InChIKeyVDZDYDLIDXQASZ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
CID 565313
1,1'-Bicyclohexyl, 4-(methoxymethyl)-4'-propyl-
CID 565325
2-Isobutyl-2-pinanyl-1,3-dimethoxypropane
CID 172994195
[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-[5-Fluoro-7-methyl-5-(2-methylpropyl)-1-propoxy-2-(propoxymethyl)octan-2-yl]-3-methylcyclohexane
CID 174162145
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-Fluoro-1-methoxy-2-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octan-2-yl]cyclohexane
CID 174162253
1-Tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
CID 174162255
[1-Ethoxy-2-(ethoxymethyl)-5-fluoro-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
CID 174162283
[5-Fluoro-7-methyl-5-(2-methylpropyl)-1-propoxy-2-(propoxymethyl)octan-2-yl]cyclohexane
CID 174162332

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane?
The IUPAC name of [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane (CID 22020719) is [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane.
What is the SMILES notation for [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane?
The canonical SMILES for [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane is COCC(COC)(CC1CCCCC1)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane?
The InChIKey is VDZDYDLIDXQASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-19-14-18(15-20-2,17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h16-17H,3-15H2,1-2H3.
What are the key properties of [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane?
[1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane has a molecular weight of 282.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane is sourced from PubChem (CID 22020719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).