(1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol

C18H34O3Si — CID 11336367

IUPAC(1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]23C[C@@H](CC[C@]12C)C(O)O3
InChIInChI=1S/C18H34O3Si/c1-16(2,3)22(5,6)21-14-8-7-10-18-12-13(15(19)20-18)9-11-17(14,18)4/h13-15,19H,7-12H2,1-6H3/t13-,14+,15?,17-,18-/m1/s1
InChIKeyYNHOQGQLPNMPLC-BIRPOOPVSA-N
MW326.55 g/mol
LogP4.45
Rot. Bonds2

About (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol

(1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol (PubChem CID 11336367) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol.

Molecular Properties

Compound Name(1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol
PubChem CID11336367
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]23C[C@@H](CC[C@]12C)C(O)O3
InChIInChI=1S/C18H34O3Si/c1-16(2,3)22(5,6)21-14-8-7-10-18-12-13(15(19)20-18)9-11-17(14,18)4/h13-15,19H,7-12H2,1-6H3/t13-,14+,15?,17-,18-/m1/s1
InChIKeyYNHOQGQLPNMPLC-BIRPOOPVSA-N
XLogP4.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2'S,3aS,4R,6R,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-ol
CID 11573754
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol
CID 129404592
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
CID 11779460
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(1S,3S,6R,7R,11S)-3-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 21457240
(4R,5R,7S,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-6-oxaspiro[4.5]decan-4-ol
CID 99772098
[(3aR,4R,7aS)-1,2,3a,7,7,7a-hexamethyl-3,4,5,6-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 15459977
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol?
The IUPAC name of (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol (CID 11336367) is (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol.
What is the SMILES notation for (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol?
The canonical SMILES for (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]23C[C@@H](CC[C@]12C)C(O)O3.
What is the InChIKey of (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol?
The InChIKey is YNHOQGQLPNMPLC-BIRPOOPVSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-16(2,3)22(5,6)21-14-8-7-10-18-12-13(15(19)20-18)9-11-17(14,18)4/h13-15,19H,7-12H2,1-6H3/t13-,14+,15?,17-,18-/m1/s1.
What are the key properties of (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol?
(1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol has a molecular weight of 326.55 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,9R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-ol is sourced from PubChem (CID 11336367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).