[(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol

C18H34O2Si — CID 135031672

IUPAC[(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol
SMILESCC1(C)C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CO)C[C@@H]2C1
InChIInChI=1S/C18H34O2Si/c1-16(2,3)21(6,7)20-12-14-8-9-17(4,5)10-15-11-18(14,15)13-19/h8-9,14-15,19H,10-13H2,1-7H3/t14-,15-,18+/m0/s1
InChIKeyQTGDRTKHBLCUPX-RLFYNMQTSA-N
MW310.55 g/mol
LogP4.61
Rot. Bonds4

About [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol

[(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol (PubChem CID 135031672) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol.

Molecular Properties

Compound Name[(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol
PubChem CID135031672
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name[(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol
SMILESCC1(C)C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CO)C[C@@H]2C1
InChIInChI=1S/C18H34O2Si/c1-16(2,3)21(6,7)20-12-14-8-9-17(4,5)10-15-11-18(14,15)13-19/h8-9,14-15,19H,10-13H2,1-7H3/t14-,15-,18+/m0/s1
InChIKeyQTGDRTKHBLCUPX-RLFYNMQTSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.61
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 [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol?
The IUPAC name of [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol (CID 135031672) is [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol.
What is the SMILES notation for [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol?
The canonical SMILES for [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol is CC1(C)C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CO)C[C@@H]2C1.
What is the InChIKey of [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol?
The InChIKey is QTGDRTKHBLCUPX-RLFYNMQTSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-16(2,3)21(6,7)20-12-14-8-9-17(4,5)10-15-11-18(14,15)13-19/h8-9,14-15,19H,10-13H2,1-7H3/t14-,15-,18+/m0/s1.
What are the key properties of [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol?
[(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol has a molecular weight of 310.55 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,7S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5-dimethyl-1-bicyclo[5.1.0]oct-3-enyl]methanol is sourced from PubChem (CID 135031672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).