1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane

C19H36O2 — CID 172994195

IUPAC1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCOCC(COC)(CC(C)C)C12CC(CCC1C)C2(C)C
InChIInChI=1S/C19H36O2/c1-14(2)10-18(12-20-6,13-21-7)19-11-16(17(19,4)5)9-8-15(19)3/h14-16H,8-13H2,1-7H3
InChIKeyCTXRUCNAOUYTAG-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.77
Rot. Bonds7

About 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane

1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 172994195) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane
PubChem CID172994195
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCOCC(COC)(CC(C)C)C12CC(CCC1C)C2(C)C
InChIInChI=1S/C19H36O2/c1-14(2)10-18(12-20-6,13-21-7)19-11-16(17(19,4)5)9-8-15(19)3/h14-16H,8-13H2,1-7H3
InChIKeyCTXRUCNAOUYTAG-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane with MolForge

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Related Compounds

Decahydro-5-(2-methoxyethyl)-1,1,4a,6-tetramethylnaphthalene
CID 25076614
2-[1-Ethoxy-2-(ethoxymethyl)-5-fluoro-8-methyl-5-(3-methylbutyl)nonan-2-yl]-4-methyl-1-propan-2-ylcyclohexane
CID 174162171
2-(((1s,5s)-6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)methyl)-2-isobutylpropane-1,3-diol
CID 172994180
(1s,5s)-2-(2,2-Bis(methoxymethyl)-4-methylpentyl)-6,6-dimethylbicyclo[3.1.1]heptane
CID 172994194
(1S,2R,5S)-2-(hydroperoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptane
CID 11052080
2,2-Bis(5-methyl-2-propan-2-ylcyclohexyl)propane-1,3-diol
CID 19604775
1-[1,3-Dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane
CID 19906661
4-Cyclohexyl-1-(methoxymethyl)-1-propylcyclohexane
CID 21652741
[2-(Cyclohexylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
CID 21894337
(2-Cyclohexyl-1,3-dimethoxypropan-2-yl)cyclohexane
CID 21894339
[1-Cyclohexyl-3-methoxy-2-(methoxymethyl)propan-2-yl]cyclohexane
CID 22020719
[5-Cyclohexyl-3,3-bis(methoxymethyl)pentyl]cyclohexane
CID 22020748

Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
The IUPAC name of 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane (CID 172994195) is 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
The canonical SMILES for 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane is COCC(COC)(CC(C)C)C12CC(CCC1C)C2(C)C.
What is the InChIKey of 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
The InChIKey is CTXRUCNAOUYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-14(2)10-18(12-20-6,13-21-7)19-11-16(17(19,4)5)9-8-15(19)3/h14-16H,8-13H2,1-7H3.
What are the key properties of 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 296.50 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]-2,6,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 172994195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).