(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol

C13H26O3Si — CID 10083873

IUPAC(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol
SMILESC[C@](O)([C@H]1CCCCC12OCCO2)[Si](C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(14,17(2,3)4)11-7-5-6-8-13(11)15-9-10-16-13/h11,14H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyGIWRIGQXJPHOJG-VXGBXAGGSA-N
MW258.43 g/mol
LogP2.55
Rot. Bonds2

About (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol

(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol (PubChem CID 10083873) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol.

Molecular Properties

Compound Name(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol
PubChem CID10083873
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol
SMILESC[C@](O)([C@H]1CCCCC12OCCO2)[Si](C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(14,17(2,3)4)11-7-5-6-8-13(11)15-9-10-16-13/h11,14H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyGIWRIGQXJPHOJG-VXGBXAGGSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.55
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

6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 122595932
(3R)-3-[(9S)-1,4-dioxaspiro[4.4]nonan-9-yl]-2-methyl-4-trimethylsilylbutan-2-ol
CID 135010960
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
CID 57477012
(2S)-6-methyl-2-[(3R)-1-oxaspiro[2.5]octan-4-yl]heptan-2-ol
CID 89154652
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol
CID 23315500
(6R)-1,4-dioxaspiro[4.5]decane-6-carbaldehyde;pentane
CID 168910128

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol?
The IUPAC name of (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol (CID 10083873) is (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol.
What is the SMILES notation for (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol?
The canonical SMILES for (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol is C[C@](O)([C@H]1CCCCC12OCCO2)[Si](C)(C)C.
What is the InChIKey of (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol?
The InChIKey is GIWRIGQXJPHOJG-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(14,17(2,3)4)11-7-5-6-8-13(11)15-9-10-16-13/h11,14H,5-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol?
(1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol has a molecular weight of 258.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-1-trimethylsilylethanol is sourced from PubChem (CID 10083873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).