(1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol

C19H34O2Si — CID 14529460

IUPAC(1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@]1(C)C1=CC(O)CC12
InChIInChI=1S/C19H34O2Si/c1-17(2,3)22(6,7)21-12-19(5)15-8-9-18(19,4)16-11-13(20)10-14(15)16/h11,13-15,20H,8-10,12H2,1-7H3/t13?,14?,15-,18+,19+/m0/s1
InChIKeyUQUBBCCXUJNSNG-KEDMZRARSA-N
MW322.57 g/mol
LogP4.75
Rot. Bonds3

About (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol

(1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol (PubChem CID 14529460) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol.

Molecular Properties

Compound Name(1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol
PubChem CID14529460
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@]1(C)C1=CC(O)CC12
InChIInChI=1S/C19H34O2Si/c1-17(2,3)22(6,7)21-12-19(5)15-8-9-18(19,4)16-11-13(20)10-14(15)16/h11,13-15,20H,8-10,12H2,1-7H3/t13?,14?,15-,18+,19+/m0/s1
InChIKeyUQUBBCCXUJNSNG-KEDMZRARSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 54.75
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 (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol?
The IUPAC name of (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol (CID 14529460) is (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol.
What is the SMILES notation for (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol?
The canonical SMILES for (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol is CC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@]1(C)C1=CC(O)CC12.
What is the InChIKey of (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol?
The InChIKey is UQUBBCCXUJNSNG-KEDMZRARSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-17(2,3)22(6,7)21-12-19(5)15-8-9-18(19,4)16-11-13(20)10-14(15)16/h11,13-15,20H,8-10,12H2,1-7H3/t13?,14?,15-,18+,19+/m0/s1.
What are the key properties of (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol?
(1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol has a molecular weight of 322.57 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,10-dimethyltricyclo[5.2.1.02,6]dec-2-en-4-ol is sourced from PubChem (CID 14529460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).