trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

C16H34O2Si — CID 134861039

IUPACtrans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@@]1(C)C[C@@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-12(2)19(13(3)4,14(5)6)18-10-9-15(7)11-16(15,8)17/h12-14,17H,9-11H2,1-8H3/t15-,16+/m0/s1
InChIKeyVGCUAOVJYSSVPV-JKSUJKDBSA-N
MW286.53 g/mol
LogP4.73
Rot. Bonds7

About trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (PubChem CID 134861039) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
PubChem CID134861039
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametrans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@@]1(C)C[C@@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si/c1-12(2)19(13(3)4,14(5)6)18-10-9-15(7)11-16(15,8)17/h12-14,17H,9-11H2,1-8H3/t15-,16+/m0/s1
InChIKeyVGCUAOVJYSSVPV-JKSUJKDBSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (CID 134861039) is trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is CC(C)[Si](OCC[C@@]1(C)C[C@@]1(C)O)(C(C)C)C(C)C.
What is the InChIKey of trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The InChIKey is VGCUAOVJYSSVPV-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-12(2)19(13(3)4,14(5)6)18-10-9-15(7)11-16(15,8)17/h12-14,17H,9-11H2,1-8H3/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1,2-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is sourced from PubChem (CID 134861039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).