[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane

C19H34O5Si — CID 164681098

IUPAC[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C)C[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]2[C@H]1C
InChIInChI=1S/C19H34O5Si/c1-10-11-14-13(2)17-16(12-15(14)24-25(7,8)9)22-18(3,20-5)19(4,21-6)23-17/h10,13,16-17H,1,11-12H2,2-9H3/t13-,16+,17+,18-,19-/m0/s1
InChIKeyXOLJNQVDSZFLBF-LRMKFPBYSA-N
MW370.56 g/mol
LogP4.22
Rot. Bonds6

About [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane

[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane (PubChem CID 164681098) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane
PubChem CID164681098
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C)C[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]2[C@H]1C
InChIInChI=1S/C19H34O5Si/c1-10-11-14-13(2)17-16(12-15(14)24-25(7,8)9)22-18(3,20-5)19(4,21-6)23-17/h10,13,16-17H,1,11-12H2,2-9H3/t13-,16+,17+,18-,19-/m0/s1
InChIKeyXOLJNQVDSZFLBF-LRMKFPBYSA-N
XLogP4.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane
CID 164681097
tert-butyl-[[(4R,5R)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 9999123
tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 10090449
[(4S,4aR)-4-(methoxymethoxy)-3,3,4a-trimethyl-2,4,5,8-tetrahydronaphthalen-1-yl]oxy-trimethylsilane
CID 10936245
(4S,5R,6R)-4-(hydroxymethyl)-2,2-dimethyl-6-[(E,2R,6R,7S)-6-methyl-7-tri(propan-2-yl)silyloxyoct-4-en-2-yl]-1,3-dioxan-5-ol
CID 53467252
[(4aR,7R,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium
CID 177398602
[(4aR,7S,8R,8aR)-2,2-dimethyl-7-prop-2-enyl-8-tri(propan-2-yl)silyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ylidene]chromium
CID 177508241

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane?
The IUPAC name of [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane (CID 164681098) is [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane?
The canonical SMILES for [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane is C=CCC1=C(O[Si](C)(C)C)C[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]2[C@H]1C.
What is the InChIKey of [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane?
The InChIKey is XOLJNQVDSZFLBF-LRMKFPBYSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-10-11-14-13(2)17-16(12-15(14)24-25(7,8)9)22-18(3,20-5)19(4,21-6)23-17/h10,13,16-17H,1,11-12H2,2-9H3/t13-,16+,17+,18-,19-/m0/s1.
What are the key properties of [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane?
[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane has a molecular weight of 370.56 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-6-prop-2-enyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane is sourced from PubChem (CID 164681098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).