(6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one

C19H36O3Si — CID 56595472

IUPAC(6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one
SMILESCC1(C)CCC[C@@]2(CCC(=O)OC2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-17(2,3)23(6,7)22-13-15-18(4,5)10-8-11-19(15)12-9-16(20)21-14-19/h15H,8-14H2,1-7H3/t15-,19+/m1/s1
InChIKeyUCUDSJZAMFBGTM-BEFAXECRSA-N
MW340.58 g/mol
LogP5.16
Rot. Bonds3

About (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one

(6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one (PubChem CID 56595472) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one
PubChem CID56595472
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one
SMILESCC1(C)CCC[C@@]2(CCC(=O)OC2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-17(2,3)23(6,7)22-13-15-18(4,5)10-8-11-19(15)12-9-16(20)21-14-19/h15H,8-14H2,1-7H3/t15-,19+/m1/s1
InChIKeyUCUDSJZAMFBGTM-BEFAXECRSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(3R,4R)-5,5-dimethyl-1-oxaspiro[2.5]octan-4-yl]methoxy]-dimethylsilane
CID 102362431
(1R,2'R,5S,6S,7S,9S)-2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-3',3'-dimethyl-10-methylidenespiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,1'-cyclohexane]-2-one
CID 102362436
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 134855082
(5R,7R)-2'-[tert-butyl(dimethyl)silyl]oxy-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-hydroxy-3',3'-dimethylspiro[4a,5,6,7,8,8a-hexahydro-3H-isochromene-4,1'-cyclohexane]-1-one
CID 102362432
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
CID 135062140
(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10958008
methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11694918

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one?
The IUPAC name of (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one (CID 56595472) is (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one is CC1(C)CCC[C@@]2(CCC(=O)OC2)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one?
The InChIKey is UCUDSJZAMFBGTM-BEFAXECRSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-17(2,3)23(6,7)22-13-15-18(4,5)10-8-11-19(15)12-9-16(20)21-14-19/h15H,8-14H2,1-7H3/t15-,19+/m1/s1.
What are the key properties of (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one?
(6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one has a molecular weight of 340.58 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-10,10-dimethyl-2-oxaspiro[5.5]undecan-3-one is sourced from PubChem (CID 56595472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).