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

C19H36O2Si — CID 134931231

IUPACtrans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@H]1C[C@@]1(O)C1=CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H36O2Si/c1-14(2)22(15(3)4,16(5)6)21-12-11-18-13-19(18,20)17-9-7-8-10-17/h9,14-16,18,20H,7-8,10-13H2,1-6H3/t18-,19+/m0/s1
InChIKeyWNETUBONQXMPTE-RBUKOAKNSA-N
MW324.58 g/mol
LogP5.43
Rot. Bonds8

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

trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (PubChem CID 134931231) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
PubChem CID134931231
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Nametrans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@H]1C[C@@]1(O)C1=CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H36O2Si/c1-14(2)22(15(3)4,16(5)6)21-12-11-18-13-19(18,20)17-9-7-8-10-17/h9,14-16,18,20H,7-8,10-13H2,1-6H3/t18-,19+/m0/s1
InChIKeyWNETUBONQXMPTE-RBUKOAKNSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.43
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'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The IUPAC name of trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (CID 134931231) is trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is CC(C)[Si](OCC[C@H]1C[C@@]1(O)C1=CCCC1)(C(C)C)C(C)C.
What is the InChIKey of trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The InChIKey is WNETUBONQXMPTE-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-14(2)22(15(3)4,16(5)6)21-12-11-18-13-19(18,20)17-9-7-8-10-17/h9,14-16,18,20H,7-8,10-13H2,1-6H3/t18-,19+/m0/s1.
What are the key properties of trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.43, 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-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is sourced from PubChem (CID 134931231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).