2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol

C36H58O5Si2 — CID 135024865

IUPAC2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol
SMILESCC(C)[Si](OC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2(CCCCO2)C1O)(C(C)C)C(C)C
InChIInChI=1S/C36H58O5Si2/c1-27(2)42(28(3)4,29(5)6)41-33-26-30(40-36(34(33)37)23-16-17-24-38-36)22-25-39-43(35(7,8)9,31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-15,18-21,27-30,33-34,37H,16-17,22-26H2,1-9H3
InChIKeyFNAPNQBYIHWKRC-UHFFFAOYSA-N
MW627.03 g/mol
LogP7.56
Rot. Bonds11

About 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol

2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol (PubChem CID 135024865) has the molecular formula C36H58O5Si2 and a molecular weight of 627.03 g/mol. Its IUPAC name is 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol
PubChem CID135024865
Molecular FormulaC36H58O5Si2
Molecular Weight627.03 g/mol
Exact Mass626.38
IUPAC Name2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol
SMILESCC(C)[Si](OC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2(CCCCO2)C1O)(C(C)C)C(C)C
InChIInChI=1S/C36H58O5Si2/c1-27(2)42(28(3)4,29(5)6)41-33-26-30(40-36(34(33)37)23-16-17-24-38-36)22-25-39-43(35(7,8)9,31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-15,18-21,27-30,33-34,37H,16-17,22-26H2,1-9H3
InChIKeyFNAPNQBYIHWKRC-UHFFFAOYSA-N
XLogP7.56
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.03
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?
The IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol (CID 135024865) is 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?
The canonical SMILES for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol is CC(C)[Si](OC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2(CCCCO2)C1O)(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?
The InChIKey is FNAPNQBYIHWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58O5Si2/c1-27(2)42(28(3)4,29(5)6)41-33-26-30(40-36(34(33)37)23-16-17-24-38-36)22-25-39-43(35(7,8)9,31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-15,18-21,27-30,33-34,37H,16-17,22-26H2,1-9H3.
What are the key properties of 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?
2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol has a molecular weight of 627.03 g/mol, XLogP of 7.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 135024865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).