[(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane

C13H22OSi — CID 101399599

IUPAC[(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
SMILESCC1=C2COC[C@@H]2C=CC[C@@H]1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-10-12-9-14-8-11(12)6-5-7-13(10)15(2,3)4/h5-6,11,13H,7-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyOSPQJJKVWBAXBP-AAEUAGOBSA-N
MW222.40 g/mol
LogP3.62
Rot. Bonds1

About [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane

[(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane (PubChem CID 101399599) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
PubChem CID101399599
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name[(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
SMILESCC1=C2COC[C@@H]2C=CC[C@@H]1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-10-12-9-14-8-11(12)6-5-7-13(10)15(2,3)4/h5-6,11,13H,7-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyOSPQJJKVWBAXBP-AAEUAGOBSA-N
XLogP3.62
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 ≤ 53.62
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
8-methyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11768749
trimethyl(3,6,7,8-tetrahydro-1H-cyclohepta[c]furan-8-yl)silane
CID 86051033
[(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
(3Z,4R)-3-pentylidene-4-[(E)-prop-1-enyl]oxolane
CID 102509710
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134900317
(4Z)-3-ethenyl-4-pentylideneoxolane
CID 134995544
[(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

Frequently Asked Questions

What is the IUPAC name of [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The IUPAC name of [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane (CID 101399599) is [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane.
What is the SMILES notation for [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The canonical SMILES for [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane is CC1=C2COC[C@@H]2C=CC[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The InChIKey is OSPQJJKVWBAXBP-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H22OSi/c1-10-12-9-14-8-11(12)6-5-7-13(10)15(2,3)4/h5-6,11,13H,7-9H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
[(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,8aR)-4-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane is sourced from PubChem (CID 101399599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).