[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane

C16H28O2Si — CID 134900317

IUPAC[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C=C[C@@H]2COCC2=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-12-7-8-13-9-17-10-15(13)14(12)11-18-19(5,6)16(2,3)4/h7-8,12-13H,9-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyCSQKCVMVKUYPLK-CHWSQXEVSA-N
MW280.48 g/mol
LogP4.16
Rot. Bonds3

About [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane

[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134900317) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134900317
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C=C[C@@H]2COCC2=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-12-7-8-13-9-17-10-15(13)14(12)11-18-19(5,6)16(2,3)4/h7-8,12-13H,9-11H2,1-6H3/t12-,13-/m1/s1
InChIKeyCSQKCVMVKUYPLK-CHWSQXEVSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan-8-yl(trimethyl)silane
CID 11063663
[(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane
CID 101190187
[(5R,8aS)-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
CID 101350509
[(5R,8aS)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
CID 101350510
[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
CID 101350511
[(3E)-3-(4-ethenyloxolan-3-ylidene)pent-1-ynyl]-trimethylsilane
CID 102095717
(3aS)-7-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-1,3,3a,6-tetrahydro-2-benzofuran
CID 10753702
[(7aS)-6-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
CID 11095845
[1-[(4Z)-4-ethylideneoxolan-3-yl]-2-methylprop-1-enyl]-trimethoxysilane
CID 11288770
tert-butyl-[[(1S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]oxy]-dimethylsilane
CID 11311659
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
CID 11401534
tert-butyl-[(E)-5-(3,6-dihydro-2H-pyran-2-yl)pent-4-enoxy]-dimethylsilane
CID 16059011

Frequently Asked Questions

What is the IUPAC name of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane (CID 134900317) is [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane is C[C@@H]1C=C[C@@H]2COCC2=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is CSQKCVMVKUYPLK-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-12-7-8-13-9-17-10-15(13)14(12)11-18-19(5,6)16(2,3)4/h7-8,12-13H,9-11H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane?
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 280.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134900317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).