(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol

C18H34O4Si — CID 62707054

IUPAC(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol
SMILESC=C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H34O4Si/c1-7-14(19)16(22-23(5,6)17(2,3)4)15-13-20-18(21-15)11-9-8-10-12-18/h7,14-16,19H,1,8-13H2,2-6H3/t14-,15+,16-/m0/s1
InChIKeyBUECSBBDBGQMOU-XHSDSOJGSA-N
MW342.55 g/mol
LogP4.00
Rot. Bonds5

About (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol

(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol (PubChem CID 62707054) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol
PubChem CID62707054
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol
SMILESC=C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H34O4Si/c1-7-14(19)16(22-23(5,6)17(2,3)4)15-13-20-18(21-15)11-9-8-10-12-18/h7,14-16,19H,1,8-13H2,2-6H3/t14-,15+,16-/m0/s1
InChIKeyBUECSBBDBGQMOU-XHSDSOJGSA-N
XLogP4.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-enoate
CID 101403885
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
CID 13483391
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-yl]-2,2,2-trichloroacetamide
CID 132559996
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-iodoprop-2-en-1-ol
CID 23656042
[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enyl] acetate
CID 102479753
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 59226561
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 135665356
(2S)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-hydroxyacetonitrile
CID 101092825
methyl (E)-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-hydroxybut-2-enoate
CID 71732531

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol?
The IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol (CID 62707054) is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol.
What is the SMILES notation for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol?
The canonical SMILES for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol is C=C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol?
The InChIKey is BUECSBBDBGQMOU-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-7-14(19)16(22-23(5,6)17(2,3)4)15-13-20-18(21-15)11-9-8-10-12-18/h7,14-16,19H,1,8-13H2,2-6H3/t14-,15+,16-/m0/s1.
What are the key properties of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol?
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol has a molecular weight of 342.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol is sourced from PubChem (CID 62707054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).