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

C16H34O3Si — CID 134997755

IUPACcis-(1R,2S)-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+/m0/s1
InChIKeyOLIRCLRHIWHMDG-ARFHVFGLSA-N
MW302.53 g/mol
LogP3.70
Rot. Bonds8

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

cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol (PubChem CID 134997755) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol
PubChem CID134997755
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Namecis-(1R,2S)-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+/m0/s1
InChIKeyOLIRCLRHIWHMDG-ARFHVFGLSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol (CID 134997755) is cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
The canonical SMILES for cis-(1R,2S)-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-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
The InChIKey is OLIRCLRHIWHMDG-ARFHVFGLSA-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+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol?
cis-(1R,2S)-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-(1R,2S)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol is sourced from PubChem (CID 134997755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).