(7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane

C15H22O3Si — CID 122373274

IUPAC(7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane
SMILESCOc1ccc2c(c1)C1CCCC1(O[Si](C)(C)C)O2
InChIInChI=1S/C15H22O3Si/c1-16-11-7-8-14-12(10-11)13-6-5-9-15(13,17-14)18-19(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyAWBQEBOFLTZRHW-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.90
Rot. Bonds3

About (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane

(7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane (PubChem CID 122373274) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane
PubChem CID122373274
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name(7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane
SMILESCOc1ccc2c(c1)C1CCCC1(O[Si](C)(C)C)O2
InChIInChI=1S/C15H22O3Si/c1-16-11-7-8-14-12(10-11)13-6-5-9-15(13,17-14)18-19(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyAWBQEBOFLTZRHW-UHFFFAOYSA-N
XLogP3.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946846
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932
(3aS,8bS)-7-methoxy-3a-methyl-2,3,4,8b-tetrahydro-1H-cyclopenta[b]indole
CID 101449816
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane?
The IUPAC name of (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane (CID 122373274) is (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane.
What is the SMILES notation for (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane?
The canonical SMILES for (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane is COc1ccc2c(c1)C1CCCC1(O[Si](C)(C)C)O2.
What is the InChIKey of (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane?
The InChIKey is AWBQEBOFLTZRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-16-11-7-8-14-12(10-11)13-6-5-9-15(13,17-14)18-19(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3.
What are the key properties of (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane?
(7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane has a molecular weight of 278.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3a-yl)oxy-trimethylsilane is sourced from PubChem (CID 122373274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).