[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane

C12H20OSi — CID 11401534

IUPAC[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
SMILESC[C@@H]1C=C[C@@H]2COCC2=C1[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-9-5-6-10-7-13-8-11(10)12(9)14(2,3)4/h5-6,9-10H,7-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyVPYQVNRYUQSFHS-NXEZZACHSA-N
MW208.38 g/mol
LogP3.01
Rot. Bonds1

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

[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane (PubChem CID 11401534) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
PubChem CID11401534
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
SMILESC[C@@H]1C=C[C@@H]2COCC2=C1[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-9-5-6-10-7-13-8-11(10)12(9)14(2,3)4/h5-6,9-10H,7-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyVPYQVNRYUQSFHS-NXEZZACHSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(3aS,6R)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 10725397
3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan-8-yl(trimethyl)silane
CID 11063663
6-Methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 23624501
(3aS,6R)-7-ethyl-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 100935807
[(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
[(5R,6R,8aS)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
CID 101350512
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134900317
[(3E)-3-(4-ethenyloxolan-3-ylidene)pent-1-ynyl]-trimethylsilane
CID 102095717
1,3,3a,6-Tetrahydro-2-benzofuran
CID 90881271

Frequently Asked Questions

What is the IUPAC name of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane?
The IUPAC name of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane (CID 11401534) is [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane.
What is the SMILES notation for [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane?
The canonical SMILES for [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane is C[C@@H]1C=C[C@@H]2COCC2=C1[Si](C)(C)C.
What is the InChIKey of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane?
The InChIKey is VPYQVNRYUQSFHS-NXEZZACHSA-N. The full InChI is InChI=1S/C12H20OSi/c1-9-5-6-10-7-13-8-11(10)12(9)14(2,3)4/h5-6,9-10H,7-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of [(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane?
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 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]-trimethylsilane is sourced from PubChem (CID 11401534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).