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

C20H38O2Si — CID 11759563

IUPACtrans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@H]1C[C@@]1(O)C1=CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-13-12-19-14-20(19,21)18-10-8-7-9-11-18/h10,15-17,19,21H,7-9,11-14H2,1-6H3/t19-,20+/m0/s1
InChIKeyMGTXEDDCSJOLQB-VQTJNVASSA-N
MW338.61 g/mol
LogP5.82
Rot. Bonds8

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

trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (PubChem CID 11759563) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
PubChem CID11759563
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametrans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@H]1C[C@@]1(O)C1=CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-13-12-19-14-20(19,21)18-10-8-7-9-11-18/h10,15-17,19,21H,7-9,11-14H2,1-6H3/t19-,20+/m0/s1
InChIKeyMGTXEDDCSJOLQB-VQTJNVASSA-N
XLogP5.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol with MolForge

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Related Compounds

2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
CID 10971240
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-2-ol
CID 134865796
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134931231
trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol
CID 134941785
(1R,4S,5S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,8,8-trimethyl-3-prop-2-enylbicyclo[5.1.0]oct-2-en-1-ol
CID 134952997
cis-(1R,2R)-1-(3-cyclohexa-1,4-dien-1-ylpropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134997610
(3aR,13aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3a-ol
CID 138968866
(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol
CID 139255317
cis-(1S,2S)-1-(3-cyclohexa-1,4-dien-1-ylpropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 146018985

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The IUPAC name of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (CID 11759563) is trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is CC(C)[Si](OCC[C@H]1C[C@@]1(O)C1=CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The InChIKey is MGTXEDDCSJOLQB-VQTJNVASSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-15(2)23(16(3)4,17(5)6)22-13-12-19-14-20(19,21)18-10-8-7-9-11-18/h10,15-17,19,21H,7-9,11-14H2,1-6H3/t19-,20+/m0/s1.
What are the key properties of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol has a molecular weight of 338.61 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is sourced from PubChem (CID 11759563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).