2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran

C10H18O2 — CID 15312619

IUPAC2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
SMILESCOC1(C)CC2CCCCC2O1
InChIInChI=1S/C10H18O2/c1-10(11-2)7-8-5-3-4-6-9(8)12-10/h8-9H,3-7H2,1-2H3
InChIKeyCTEOXXOEGDHNKW-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds1

About 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran

2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran (PubChem CID 15312619) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran.

Molecular Properties

Compound Name2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
PubChem CID15312619
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
SMILESCOC1(C)CC2CCCCC2O1
InChIInChI=1S/C10H18O2/c1-10(11-2)7-8-5-3-4-6-9(8)12-10/h8-9H,3-7H2,1-2H3
InChIKeyCTEOXXOEGDHNKW-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
(2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl) acetate
CID 13492071
3-cyclododecyl-2,2-dimethyloxirane
CID 84820740
[(2S,3R,4aS,8aR)-2,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrochromen-3-yl] formate
CID 23254121
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
(8aR)-2-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 138598662
7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
CID 142607560
2-cyclohexyl-4-methoxy-2-methyloxetane
CID 123235119
5-cyclohexyl-2-methyloxolane-2-carboxylic acid
CID 127019504
1-[(4S,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 102417852
(4S,4aR,8aR)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 13328681
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The IUPAC name of 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran (CID 15312619) is 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran.
What is the SMILES notation for 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The canonical SMILES for 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran is COC1(C)CC2CCCCC2O1.
What is the InChIKey of 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The InChIKey is CTEOXXOEGDHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(11-2)7-8-5-3-4-6-9(8)12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran has a molecular weight of 170.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran is sourced from PubChem (CID 15312619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).