trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane

C12H20OSi — CID 11009157

IUPACtrimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane
SMILESCC1=CCC2COCC2=C1[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-9-5-6-10-7-13-8-11(10)12(9)14(2,3)4/h5,10H,6-8H2,1-4H3
InChIKeyIHRLREHGKDNTFH-UHFFFAOYSA-N
MW208.38 g/mol
LogP3.16
Rot. Bonds1

About trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane

trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane (PubChem CID 11009157) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane.

Molecular Properties

Compound Nametrimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane
PubChem CID11009157
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Nametrimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane
SMILESCC1=CCC2COCC2=C1[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-9-5-6-10-7-13-8-11(10)12(9)14(2,3)4/h5,10H,6-8H2,1-4H3
InChIKeyIHRLREHGKDNTFH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydroisobenzofuran
CID 22708525
1-(4-Trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
CID 10776226
6-(Prop-2-enoxymethyl)-1,3,3a,4-tetrahydro-2-benzofuran
CID 11332995
6-Propyl-2,3,3a,7a-tetrahydro-1-benzofuran
CID 68198349
6-Propan-2-yl-1,3,3a,4-tetrahydro-2-benzofuran
CID 170045955
5-Methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran
CID 178088335
[(7aS)-6-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
CID 11095845
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
CID 11401534
(3aR)-1,3,3a,4-tetrahydro-2-benzofuran
CID 15248674
trimethyl-[(3Z)-3-(4-prop-1-en-2-yloxolan-3-ylidene)prop-1-ynyl]silane
CID 101895974
trimethyl-[(6Z,8E)-5-methyl-1,3,4,5-tetrahydrocycloocta[c]furan-9-yl]silane
CID 102407701
[(E)-[4-[(1E)-buta-1,3-dienyl]oxolan-3-ylidene]methyl]-trimethylsilane
CID 177608092

Frequently Asked Questions

What is the IUPAC name of trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane?
The IUPAC name of trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane (CID 11009157) is trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane.
What is the SMILES notation for trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane?
The canonical SMILES for trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane is CC1=CCC2COCC2=C1[Si](C)(C)C.
What is the InChIKey of trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane?
The InChIKey is IHRLREHGKDNTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-9-5-6-10-7-13-8-11(10)12(9)14(2,3)4/h5,10H,6-8H2,1-4H3.
What are the key properties of trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane?
trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane has a molecular weight of 208.38 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(5-methyl-1,3,7,7a-tetrahydro-2-benzofuran-4-yl)silane is sourced from PubChem (CID 11009157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).