[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol

C19H38O3Si — CID 11382298

IUPAC[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
SMILESCC(C)[Si](OCCC[C@H]1O[C@H](CO)C=C[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-14(2)23(15(3)4,16(5)6)21-12-8-9-19-17(7)10-11-18(13-20)22-19/h10-11,14-20H,8-9,12-13H2,1-7H3/t17-,18-,19+/m0/s1
InChIKeyVGISWYVVNCEZNL-GBESFXJTSA-N
MW342.60 g/mol
LogP4.91
Rot. Bonds9

About [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol

[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol (PubChem CID 11382298) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
PubChem CID11382298
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
SMILESCC(C)[Si](OCCC[C@H]1O[C@H](CO)C=C[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-14(2)23(15(3)4,16(5)6)21-12-8-9-19-17(7)10-11-18(13-20)22-19/h10-11,14-20H,8-9,12-13H2,1-7H3/t17-,18-,19+/m0/s1
InChIKeyVGISWYVVNCEZNL-GBESFXJTSA-N
XLogP4.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
(3S,4E,6S,7S,9R,10R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methoxy-4,6-dimethyldodeca-4,11-diene-1,9-diol
CID 135019760
(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dien-1-ol
CID 11209244
tert-butyl-dimethyl-[(2S,3R,5R)-5-methyl-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxan-3-yl]oxysilane
CID 22848925
tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-[(1E,3E,5E)-nona-1,3,5-trienyl]oxan-3-yl]oxysilane
CID 22848927
tert-butyl-dimethyl-[(2S,3R,5R)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane
CID 57019052
tert-butyl-dimethyl-[(2S,3R,5S)-5-methyl-2-nona-1,3,5-trienyloxan-3-yl]oxysilane
CID 57061832
tert-butyl-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]oxy-dimethylsilane
CID 57076229
tert-butyl-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
CID 57586757

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
The IUPAC name of [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol (CID 11382298) is [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol.
What is the SMILES notation for [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
The canonical SMILES for [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol is CC(C)[Si](OCCC[C@H]1O[C@H](CO)C=C[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
The InChIKey is VGISWYVVNCEZNL-GBESFXJTSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-14(2)23(15(3)4,16(5)6)21-12-8-9-19-17(7)10-11-18(13-20)22-19/h10-11,14-20H,8-9,12-13H2,1-7H3/t17-,18-,19+/m0/s1.
What are the key properties of [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol?
[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol has a molecular weight of 342.60 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol is sourced from PubChem (CID 11382298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).