(1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol

C16H30O2Si — CID 162418114

IUPAC(1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
SMILESCC1(C)[C@@H]2C[C@H]1[C@H](O)C=C2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(6,7)18-10-11-8-14(17)13-9-12(11)16(13,4)5/h8,12-14,17H,9-10H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeyRWHIJOHILIATKW-HZSPNIEDSA-N
MW282.50 g/mol
LogP3.97
Rot. Bonds3

About (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol

(1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol (PubChem CID 162418114) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol.

Molecular Properties

Compound Name(1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
PubChem CID162418114
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
SMILESCC1(C)[C@@H]2C[C@H]1[C@H](O)C=C2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(2,3)19(6,7)18-10-11-8-14(17)13-9-12(11)16(13,4)5/h8,12-14,17H,9-10H2,1-7H3/t12-,13+,14-/m1/s1
InChIKeyRWHIJOHILIATKW-HZSPNIEDSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.97
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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Related Compounds

Verbenol
CID 61126
Verbenol, (S)-cis-
CID 87839
Verbenol, (S)-trans-
CID 88298
Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1R,2S,5R)-rel-
CID 89664
(+)-cis-Verbenol
CID 164888
(1S,2R,5R)-4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 14829018
Npc197942
CID 2734021
(1R,2R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 12098257
4-(Hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 14829019
(1R,5R,6S)-2-(hydroxymethyl)-7,7-dimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 130891301
(1S,2R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 6978722
(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 10975683

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The IUPAC name of (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol (CID 162418114) is (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol.
What is the SMILES notation for (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The canonical SMILES for (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol is CC1(C)[C@@H]2C[C@H]1[C@H](O)C=C2CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The InChIKey is RWHIJOHILIATKW-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(2,3)19(6,7)18-10-11-8-14(17)13-9-12(11)16(13,4)5/h8,12-14,17H,9-10H2,1-7H3/t12-,13+,14-/m1/s1.
What are the key properties of (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
(1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol has a molecular weight of 282.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol is sourced from PubChem (CID 162418114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).