cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol

C16H34O3Si — CID 102463956

IUPACcis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol
SMILESCC(C)[Si](OC[C@H](O)C[C@@H]1C[C@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)8-14-9-16(14,7)18/h11-15,17-18H,8-10H2,1-7H3/t14-,15-,16+/m1/s1
InChIKeyOLIRCLRHIWHMDG-OAGGEKHMSA-N
MW302.53 g/mol
LogP3.70
Rot. Bonds8

About cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol

cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol (PubChem CID 102463956) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol
PubChem CID102463956
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Namecis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol
SMILESCC(C)[Si](OC[C@H](O)C[C@@H]1C[C@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)8-14-9-16(14,7)18/h11-15,17-18H,8-10H2,1-7H3/t14-,15-,16+/m1/s1
InChIKeyOLIRCLRHIWHMDG-OAGGEKHMSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-1-ethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 10803168
cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 10903647
[(2R,3R)-3-[(2R)-2-methyl-2-tri(propan-2-yl)silyloxypentyl]oxiran-2-yl]methanol
CID 11688526
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 15267237
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
CID 132501473
palladium;trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134848093
2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol
CID 134940448
cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol
CID 134997755
cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 146018986
(3S,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylnonadecane-4,5-diol
CID 58962238
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylnonadecane-4,5-diol
CID 58962250

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol (CID 102463956) is cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol is CC(C)[Si](OC[C@H](O)C[C@@H]1C[C@]1(C)O)(C(C)C)C(C)C.
What is the InChIKey of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
The InChIKey is OLIRCLRHIWHMDG-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)8-14-9-16(14,7)18/h11-15,17-18H,8-10H2,1-7H3/t14-,15-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol has a molecular weight of 302.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol is sourced from PubChem (CID 102463956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).