2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol

C24H46O4Si — CID 11453081

IUPAC2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
SMILESCC(C)[Si](OCCC[C@H]1O[C@]2(C=C[C@@H]1C)CCC[C@@H](CCO)O2)(C(C)C)C(C)C
InChIInChI=1S/C24H46O4Si/c1-18(2)29(19(3)4,20(5)6)26-17-9-11-23-21(7)12-15-24(28-23)14-8-10-22(27-24)13-16-25/h12,15,18-23,25H,8-11,13-14,16-17H2,1-7H3/t21-,22-,23+,24-/m0/s1
InChIKeyBXDWJSPFCUYNJW-XQUALCHDSA-N
MW426.71 g/mol
LogP6.20
Rot. Bonds10

About 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol

2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol (PubChem CID 11453081) has the molecular formula C24H46O4Si and a molecular weight of 426.71 g/mol. Its IUPAC name is 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
PubChem CID11453081
Molecular FormulaC24H46O4Si
Molecular Weight426.71 g/mol
Exact Mass426.32
IUPAC Name2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol
SMILESCC(C)[Si](OCCC[C@H]1O[C@]2(C=C[C@@H]1C)CCC[C@@H](CCO)O2)(C(C)C)C(C)C
InChIInChI=1S/C24H46O4Si/c1-18(2)29(19(3)4,20(5)6)26-17-9-11-23-21(7)12-15-24(28-23)14-8-10-22(27-24)13-16-25/h12,15,18-23,25H,8-11,13-14,16-17H2,1-7H3/t21-,22-,23+,24-/m0/s1
InChIKeyBXDWJSPFCUYNJW-XQUALCHDSA-N
XLogP6.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.71
LogP ≤ 56.20
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol?
The IUPAC name of 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol (CID 11453081) is 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol.
What is the SMILES notation for 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol?
The canonical SMILES for 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol is CC(C)[Si](OCCC[C@H]1O[C@]2(C=C[C@@H]1C)CCC[C@@H](CCO)O2)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol?
The InChIKey is BXDWJSPFCUYNJW-XQUALCHDSA-N. The full InChI is InChI=1S/C24H46O4Si/c1-18(2)29(19(3)4,20(5)6)26-17-9-11-23-21(7)12-15-24(28-23)14-8-10-22(27-24)13-16-25/h12,15,18-23,25H,8-11,13-14,16-17H2,1-7H3/t21-,22-,23+,24-/m0/s1.
What are the key properties of 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol?
2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol has a molecular weight of 426.71 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undec-4-en-8-yl]ethanol is sourced from PubChem (CID 11453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).