[(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane

C20H34O3Si2 — CID 100926248

IUPAC[(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane
SMILESCOc1c(OC)c([Si](C)(C)C)c2c(c1[Si](C)(C)C)C[C@H]1COC[C@@H]1C2
InChIInChI=1S/C20H34O3Si2/c1-21-17-18(22-2)20(25(6,7)8)16-10-14-12-23-11-13(14)9-15(16)19(17)24(3,4)5/h13-14H,9-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyYFPSWUAXRLTTFX-KBPBESRZSA-N
MW378.66 g/mol
LogP3.16
Rot. Bonds4

About [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane

[(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane (PubChem CID 100926248) has the molecular formula C20H34O3Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane
PubChem CID100926248
Molecular FormulaC20H34O3Si2
Molecular Weight378.66 g/mol
Exact Mass378.20
IUPAC Name[(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane
SMILESCOc1c(OC)c([Si](C)(C)C)c2c(c1[Si](C)(C)C)C[C@H]1COC[C@@H]1C2
InChIInChI=1S/C20H34O3Si2/c1-21-17-18(22-2)20(25(6,7)8)16-10-14-12-23-11-13(14)9-15(16)19(17)24(3,4)5/h13-14H,9-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyYFPSWUAXRLTTFX-KBPBESRZSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
CID 139878669
4-chloro-5-methoxy-6-(3-oxabicyclo[3.3.1]nonan-9-yloxy)pyrimidine
CID 159739947
(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110292317
4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol
CID 19009448
4-chloro-5-methoxy-6-(oxetan-3-yloxy)pyrimidine
CID 102606254
N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608811
4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol
CID 171905349
4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene
CID 102526850
4-(4-methoxyanilino)oxolan-3-ol
CID 60902076
[(3R,4R)-4-(4-hydroxy-3-methoxybenzoyl)oxolan-3-yl]-(4-propan-2-ylphenyl)methanone
CID 71608170
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 14134109
(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943513

Frequently Asked Questions

What is the IUPAC name of [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane?
The IUPAC name of [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane (CID 100926248) is [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane.
What is the SMILES notation for [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane?
The canonical SMILES for [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane is COc1c(OC)c([Si](C)(C)C)c2c(c1[Si](C)(C)C)C[C@H]1COC[C@@H]1C2.
What is the InChIKey of [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane?
The InChIKey is YFPSWUAXRLTTFX-KBPBESRZSA-N. The full InChI is InChI=1S/C20H34O3Si2/c1-21-17-18(22-2)20(25(6,7)8)16-10-14-12-23-11-13(14)9-15(16)19(17)24(3,4)5/h13-14H,9-12H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane?
[(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane has a molecular weight of 378.66 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,9aR)-6,7-dimethoxy-5-trimethylsilyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-8-yl]-trimethylsilane is sourced from PubChem (CID 100926248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).