[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane

C13H22OSi — CID 101350511

IUPAC[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
SMILESC[C@@H]1C=C[C@@H]2COCC2=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-10-5-6-11-8-14-9-12(11)7-13(10)15(2,3)4/h5-7,10-11,13H,8-9H2,1-4H3/t10-,11-,13+/m1/s1
InChIKeyIQFWOMGPSFSIEH-WZRBSPASSA-N
MW222.40 g/mol
LogP3.47
Rot. Bonds1

About [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane

[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane (PubChem CID 101350511) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
PubChem CID101350511
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
SMILESC[C@@H]1C=C[C@@H]2COCC2=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-10-5-6-11-8-14-9-12(11)7-13(10)15(2,3)4/h5-7,10-11,13H,8-9H2,1-4H3/t10-,11-,13+/m1/s1
InChIKeyIQFWOMGPSFSIEH-WZRBSPASSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.47
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

3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan-8-yl(trimethyl)silane
CID 11063663
3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11116125
8-methyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11768749
[(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)-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
(3aS,6S)-6,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 10888265
[(7aS)-6-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
CID 11095845
(4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
CID 11355588

Frequently Asked Questions

What is the IUPAC name of [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The IUPAC name of [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane (CID 101350511) is [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane.
What is the SMILES notation for [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The canonical SMILES for [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane is C[C@@H]1C=C[C@@H]2COCC2=C[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The InChIKey is IQFWOMGPSFSIEH-WZRBSPASSA-N. The full InChI is InChI=1S/C13H22OSi/c1-10-5-6-11-8-14-9-12(11)7-13(10)15(2,3)4/h5-7,10-11,13H,8-9H2,1-4H3/t10-,11-,13+/m1/s1.
What are the key properties of [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane is sourced from PubChem (CID 101350511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).