(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol

C20H40O4Si — CID 175672917

IUPAC(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol
SMILESC[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C20H40O4Si/c1-16(10-13-23-25(5,6)19(2,3)4)14-17(21)18-15-22-20(24-18)11-8-7-9-12-20/h16-18,21H,7-15H2,1-6H3/t16-,17+,18+/m0/s1
InChIKeyCVMGBELIBLKAQA-RCCFBDPRSA-N
MW372.62 g/mol
LogP4.86
Rot. Bonds7

About (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol

(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol (PubChem CID 175672917) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol.

Molecular Properties

Compound Name(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol
PubChem CID175672917
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol
SMILESC[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C20H40O4Si/c1-16(10-13-23-25(5,6)19(2,3)4)14-17(21)18-15-22-20(24-18)11-8-7-9-12-20/h16-18,21H,7-15H2,1-6H3/t16-,17+,18+/m0/s1
InChIKeyCVMGBELIBLKAQA-RCCFBDPRSA-N
XLogP4.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol?
The IUPAC name of (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol (CID 175672917) is (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol.
What is the SMILES notation for (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol?
The canonical SMILES for (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol is C[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol?
The InChIKey is CVMGBELIBLKAQA-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-16(10-13-23-25(5,6)19(2,3)4)14-17(21)18-15-22-20(24-18)11-8-7-9-12-20/h16-18,21H,7-15H2,1-6H3/t16-,17+,18+/m0/s1.
What are the key properties of (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol?
(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol has a molecular weight of 372.62 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-methylpentan-1-ol is sourced from PubChem (CID 175672917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).