[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol

C20H38O3Si — CID 90365455

IUPAC[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
SMILESCC#C[C@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O3Si/c1-10-11-18-20(17(9)16(8)19(12-21)22-18)23-24(13(2)3,14(4)5)15(6)7/h13-21H,12H2,1-9H3/t16-,17-,18+,19+,20-/m0/s1
InChIKeyIQEPUJIFPDVNIU-OMZCGLGVSA-N
MW354.61 g/mol
LogP4.60
Rot. Bonds6

About [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol

[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol (PubChem CID 90365455) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
PubChem CID90365455
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
SMILESCC#C[C@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O3Si/c1-10-11-18-20(17(9)16(8)19(12-21)22-18)23-24(13(2)3,14(4)5)15(6)7/h13-21H,12H2,1-9H3/t16-,17-,18+,19+,20-/m0/s1
InChIKeyIQEPUJIFPDVNIU-OMZCGLGVSA-N
XLogP4.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
The IUPAC name of [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol (CID 90365455) is [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol is CC#C[C@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
The InChIKey is IQEPUJIFPDVNIU-OMZCGLGVSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-10-11-18-20(17(9)16(8)19(12-21)22-18)23-24(13(2)3,14(4)5)15(6)7/h13-21H,12H2,1-9H3/t16-,17-,18+,19+,20-/m0/s1.
What are the key properties of [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?
[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol has a molecular weight of 354.61 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5S,6R)-3,4-dimethyl-6-prop-1-ynyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol is sourced from PubChem (CID 90365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).