8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol

C14H26O4Si — CID 135042829

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2(CC1O)OCCO2
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(4,5)18-12-6-7-14(10-11(12)15)16-8-9-17-14/h6,11,15H,7-10H2,1-5H3
InChIKeyIQZLOCWWOGAYTJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.79
Rot. Bonds2

About 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol

8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol (PubChem CID 135042829) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol
PubChem CID135042829
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2(CC1O)OCCO2
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(4,5)18-12-6-7-14(10-11(12)15)16-8-9-17-14/h6,11,15H,7-10H2,1-5H3
InChIKeyIQZLOCWWOGAYTJ-UHFFFAOYSA-N
XLogP2.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(t-Butyldimethylsilanyloxymethyl)-2,2-dimethyl-4,6a-dihydro-3ah-cyclopenta[1,3]dioxol-4-ol
CID 129824909
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
Tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane
CID 135042884
(3aR,4R,7S,7aS)-2,2,5-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 139125704
(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylhept-2-en-1-ol
CID 21729073
(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trimethylsilylhept-2-en-1-ol
CID 21729129
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanol
CID 10426794
(3aR,6R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 11077457
(3aS,4S,7R,7aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 11438428
(3aS,4R,7R,7aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 11483857
(3aR,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 11808759
(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-4-methylhex-2-en-1-ol
CID 58304496

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol (CID 135042829) is 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol is CC(C)(C)[Si](C)(C)OC1=CCC2(CC1O)OCCO2.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The InChIKey is IQZLOCWWOGAYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-13(2,3)19(4,5)18-12-6-7-14(10-11(12)15)16-8-9-17-14/h6,11,15H,7-10H2,1-5H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol has a molecular weight of 286.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol is sourced from PubChem (CID 135042829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).