(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid

C16H30O3Si — CID 11779460

IUPAC(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CCC[C@H]2C(=O)O
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(4,5)19-13-9-7-11-16(13)10-6-8-12(16)14(17)18/h12-13H,6-11H2,1-5H3,(H,17,18)/t12-,13+,16+/m0/s1
InChIKeyGLHYNASHVRWQFK-WOSRLPQWSA-N
MW298.50 g/mol
LogP4.43
Rot. Bonds3

About (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid

(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid (PubChem CID 11779460) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid.

Molecular Properties

Compound Name(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
PubChem CID11779460
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CCC[C@H]2C(=O)O
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(4,5)19-13-9-7-11-16(13)10-6-8-12(16)14(17)18/h12-13H,6-11H2,1-5H3,(H,17,18)/t12-,13+,16+/m0/s1
InChIKeyGLHYNASHVRWQFK-WOSRLPQWSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(1S,2'R,4R,5S)-2'-[tert-butyl(dimethyl)silyl]oxyspiro[6-oxabicyclo[3.1.0]hexane-4,1'-cyclopentane]-2-one
CID 11437525
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
[(2'S,3aR,4S,6S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-yl] trifluoromethanesulfonate
CID 101385416
[(2S,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-thiaspiro[4.4]nonan-2-yl] acetate
CID 99772748
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-thiaspiro[4.4]nonan-2-yl] acetate
CID 117070935
(3R,4S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-1-oxaspiro[4.4]nonan-2-one
CID 117070993
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383

Frequently Asked Questions

What is the IUPAC name of (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid?
The IUPAC name of (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid (CID 11779460) is (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid.
What is the SMILES notation for (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid?
The canonical SMILES for (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12CCC[C@H]2C(=O)O.
What is the InChIKey of (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid?
The InChIKey is GLHYNASHVRWQFK-WOSRLPQWSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(2,3)20(4,5)19-13-9-7-11-16(13)10-6-8-12(16)14(17)18/h12-13H,6-11H2,1-5H3,(H,17,18)/t12-,13+,16+/m0/s1.
What are the key properties of (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid?
(4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid has a molecular weight of 298.50 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,9R)-4-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonane-9-carboxylic acid is sourced from PubChem (CID 11779460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).