[(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

C18H34O2Si — CID 102532508

IUPAC[(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESC/C=C/[C@H]1OCC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C18H34O2Si/c1-9-10-17-16(8)18(11-12-19-17)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-17H,12H2,1-8H3/b10-9+/t16-,17-/m1/s1
InChIKeyQISRFASIFMWOAY-VEUZHWNKSA-N
MW310.55 g/mol
LogP5.67
Rot. Bonds6

About [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

[(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 102532508) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID102532508
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name[(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESC/C=C/[C@H]1OCC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C18H34O2Si/c1-9-10-17-16(8)18(11-12-19-17)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-17H,12H2,1-8H3/b10-9+/t16-,17-/m1/s1
InChIKeyQISRFASIFMWOAY-VEUZHWNKSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.67
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

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CID 16115684
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane
CID 134881303
tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 154711642
triethyl-[(5E)-2-propan-2-yloxynona-1,5-dien-4-yl]oxysilane
CID 10591245
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CID 11257174
(R,Z)-4-(tert-Butyldimethysilyloxy)-2,3,4,7-tetrahydrooxepine
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tert-butyl-[(3R,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586744
tert-butyl-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 57586778
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-4-yloxy)silane
CID 67076217
tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane
CID 71236126

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (CID 102532508) is [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is C/C=C/[C@H]1OCC=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C.
What is the InChIKey of [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is QISRFASIFMWOAY-VEUZHWNKSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-9-10-17-16(8)18(11-12-19-17)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-17H,12H2,1-8H3/b10-9+/t16-,17-/m1/s1.
What are the key properties of [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
[(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 310.55 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-methyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102532508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).