(2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol

C16H28O2Si — CID 10731479

IUPAC(2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1/C(=C\CO)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-11-15-13-7-6-12(10-13)14(15)8-9-17/h6-8,12-13,15,17H,9-11H2,1-5H3/b14-8-/t12-,13+,15+/m1/s1
InChIKeyWWPIESBANKZCRQ-JBACWGDHSA-N
MW280.48 g/mol
LogP3.75
Rot. Bonds4

About (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol

(2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol (PubChem CID 10731479) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol
PubChem CID10731479
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1/C(=C\CO)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-11-15-13-7-6-12(10-13)14(15)8-9-17/h6-8,12-13,15,17H,9-11H2,1-5H3/b14-8-/t12-,13+,15+/m1/s1
InChIKeyWWPIESBANKZCRQ-JBACWGDHSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.75
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 (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol?
The IUPAC name of (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol (CID 10731479) is (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol?
The canonical SMILES for (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol is CC(C)(C)[Si](C)(C)OC[C@@H]1/C(=C\CO)[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol?
The InChIKey is WWPIESBANKZCRQ-JBACWGDHSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-11-15-13-7-6-12(10-13)14(15)8-9-17/h6-8,12-13,15,17H,9-11H2,1-5H3/b14-8-/t12-,13+,15+/m1/s1.
What are the key properties of (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol?
(2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol has a molecular weight of 280.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enylidene]ethanol is sourced from PubChem (CID 10731479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).