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

C14H24OSi — CID 101399598

IUPAC[(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
SMILESCC1=C2COC[C@@H]2C=C[C@@H](C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-10-6-7-12-8-15-9-13(12)11(2)14(10)16(3,4)5/h6-7,10,12,14H,8-9H2,1-5H3/t10-,12+,14+/m1/s1
InChIKeyPMEQMNFFKATMKS-OSMZGAPFSA-N
MW236.43 g/mol
LogP3.86
Rot. Bonds1

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

[(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane (PubChem CID 101399598) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
PubChem CID101399598
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name[(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
SMILESCC1=C2COC[C@@H]2C=C[C@@H](C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-10-6-7-12-8-15-9-13(12)11(2)14(10)16(3,4)5/h6-7,10,12,14H,8-9H2,1-5H3/t10-,12+,14+/m1/s1
InChIKeyPMEQMNFFKATMKS-OSMZGAPFSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.86
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
[(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
[(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
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
CID 11401534
8-ethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 85780678
8-propan-2-yl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 86051031

Frequently Asked Questions

What is the IUPAC name of [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The IUPAC name of [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane (CID 101399598) is [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane.
What is the SMILES notation for [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The canonical SMILES for [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane is CC1=C2COC[C@@H]2C=C[C@@H](C)[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
The InChIKey is PMEQMNFFKATMKS-OSMZGAPFSA-N. The full InChI is InChI=1S/C14H24OSi/c1-10-6-7-12-8-15-9-13(12)11(2)14(10)16(3,4)5/h6-7,10,12,14H,8-9H2,1-5H3/t10-,12+,14+/m1/s1.
What are the key properties of [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane?
[(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6R,8aR)-4,6-dimethyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane is sourced from PubChem (CID 101399598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).