8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol

C21H42O4Si — CID 153302262

IUPAC8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCCC1(CCCO[Si](C)(C)C(C)(C)C)CCC2(OCCO2)C(C)(C)C1O
InChIInChI=1S/C21H42O4Si/c1-9-20(11-10-14-25-26(7,8)18(2,3)4)12-13-21(23-15-16-24-21)19(5,6)17(20)22/h17,22H,9-16H2,1-8H3
InChIKeyBJCPVAYWURQPFG-UHFFFAOYSA-N
MW386.65 g/mol
LogP5.11
Rot. Bonds6

About 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol

8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol (PubChem CID 153302262) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
PubChem CID153302262
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCCC1(CCCO[Si](C)(C)C(C)(C)C)CCC2(OCCO2)C(C)(C)C1O
InChIInChI=1S/C21H42O4Si/c1-9-20(11-10-14-25-26(7,8)18(2,3)4)12-13-21(23-15-16-24-21)19(5,6)17(20)22/h17,22H,9-16H2,1-8H3
InChIKeyBJCPVAYWURQPFG-UHFFFAOYSA-N
XLogP5.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol (CID 153302262) is 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol.
What is the SMILES notation for 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The canonical SMILES for 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol is CCC1(CCCO[Si](C)(C)C(C)(C)C)CCC2(OCCO2)C(C)(C)C1O.
What is the InChIKey of 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The InChIKey is BJCPVAYWURQPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-9-20(11-10-14-25-26(7,8)18(2,3)4)12-13-21(23-15-16-24-21)19(5,6)17(20)22/h17,22H,9-16H2,1-8H3.
What are the key properties of 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol has a molecular weight of 386.65 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 153302262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).