[(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane

C15H24O2Si — CID 101190187

IUPAC[(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane
SMILESC[C@@H]1/C=C\[C@@H]2COC/C2=C/C(CO[Si](C)(C)C)=C\1
InChIInChI=1S/C15H24O2Si/c1-12-5-6-14-10-16-11-15(14)8-13(7-12)9-17-18(2,3)4/h5-8,12,14H,9-11H2,1-4H3/b6-5-,13-7+,15-8-/t12-,14-/m1/s1
InChIKeyMXNCUBDLFWOMNX-CFTGHESASA-N
MW264.44 g/mol
LogP3.54
Rot. Bonds3

About [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane

[(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane (PubChem CID 101190187) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane
PubChem CID101190187
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name[(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane
SMILESC[C@@H]1/C=C\[C@@H]2COC/C2=C/C(CO[Si](C)(C)C)=C\1
InChIInChI=1S/C15H24O2Si/c1-12-5-6-14-10-16-11-15(14)8-13(7-12)9-17-18(2,3)4/h5-8,12,14H,9-11H2,1-4H3/b6-5-,13-7+,15-8-/t12-,14-/m1/s1
InChIKeyMXNCUBDLFWOMNX-CFTGHESASA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,4Z,6R,7E,9E)-6-methyl-8-(prop-2-enoxymethyl)-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190186
3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan-8-yl(trimethyl)silane
CID 11063663
(3aS,4Z,6R,7E,9E)-8-[[(2E,4E)-hexa-2,4-dienoxy]methyl]-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 11196563
(3aS,4Z,6S,7Z,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 16106066
(3aS,4Z,6R,7Z,9E)-6-methyl-8-propyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190188
[(5R,8aS)-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
CID 101350509
[(5R,6R,8aS)-6-methyl-3,5,6,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]-trimethylsilane
CID 101350511
tert-butyl-dimethyl-[(3E)-3-(4-methylideneoxolan-3-ylidene)prop-1-en-2-yl]oxysilane
CID 134863591
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134900317
[(5R,7aS)-5-methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl]-trimethylsilane
CID 11401534
(4Z,7E,9E)-5,6-dimethyl-8-[[(1E,3E)-3-methylpenta-1,3-dienoxy]methyl]-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 16106062
(3aS,4Z,6S,7Z,9E)-5,6-dimethyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 16106068

Frequently Asked Questions

What is the IUPAC name of [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane?
The IUPAC name of [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane (CID 101190187) is [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane.
What is the SMILES notation for [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane?
The canonical SMILES for [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane is C[C@@H]1/C=C\[C@@H]2COC/C2=C/C(CO[Si](C)(C)C)=C\1.
What is the InChIKey of [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane?
The InChIKey is MXNCUBDLFWOMNX-CFTGHESASA-N. The full InChI is InChI=1S/C15H24O2Si/c1-12-5-6-14-10-16-11-15(14)8-13(7-12)9-17-18(2,3)4/h5-8,12,14H,9-11H2,1-4H3/b6-5-,13-7+,15-8-/t12-,14-/m1/s1.
What are the key properties of [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane?
[(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane has a molecular weight of 264.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4Z,6R,7E,9E)-6-methyl-1,3,3a,6-tetrahydrocycloocta[c]furan-8-yl]methoxy-trimethylsilane is sourced from PubChem (CID 101190187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).