tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane

C29H44O4Si — CID 134862820

IUPACtert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane
SMILESC=CC12CC(O[Si](C)(C)C(C)(C)C)C3([C@H]1COCc1ccccc1)C1(CCC[C@@]23C)OCCO1
InChIInChI=1S/C29H44O4Si/c1-8-27-19-24(33-34(6,7)25(2,3)4)29(23(27)21-30-20-22-13-10-9-11-14-22)26(27,5)15-12-16-28(29)31-17-18-32-28/h8-11,13-14,23-24H,1,12,15-21H2,2-7H3/t23-,24?,26-,27?,29?/m0/s1
InChIKeyOGOQCQCLPKJDPS-QLTCTIDOSA-N
MW484.75 g/mol
LogP6.72
Rot. Bonds7

About tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane

tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane (PubChem CID 134862820) has the molecular formula C29H44O4Si and a molecular weight of 484.75 g/mol. Its IUPAC name is tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane
PubChem CID134862820
Molecular FormulaC29H44O4Si
Molecular Weight484.75 g/mol
Exact Mass484.30
IUPAC Nametert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane
SMILESC=CC12CC(O[Si](C)(C)C(C)(C)C)C3([C@H]1COCc1ccccc1)C1(CCC[C@@]23C)OCCO1
InChIInChI=1S/C29H44O4Si/c1-8-27-19-24(33-34(6,7)25(2,3)4)29(23(27)21-30-20-22-13-10-9-11-14-22)26(27,5)15-12-16-28(29)31-17-18-32-28/h8-11,13-14,23-24H,1,12,15-21H2,2-7H3/t23-,24?,26-,27?,29?/m0/s1
InChIKeyOGOQCQCLPKJDPS-QLTCTIDOSA-N
XLogP6.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane (CID 134862820) is tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane is C=CC12CC(O[Si](C)(C)C(C)(C)C)C3([C@H]1COCc1ccccc1)C1(CCC[C@@]23C)OCCO1.
What is the InChIKey of tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane?
The InChIKey is OGOQCQCLPKJDPS-QLTCTIDOSA-N. The full InChI is InChI=1S/C29H44O4Si/c1-8-27-19-24(33-34(6,7)25(2,3)4)29(23(27)21-30-20-22-13-10-9-11-14-22)26(27,5)15-12-16-28(29)31-17-18-32-28/h8-11,13-14,23-24H,1,12,15-21H2,2-7H3/t23-,24?,26-,27?,29?/m0/s1.
What are the key properties of tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane?
tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane has a molecular weight of 484.75 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6'S,9'S,10'S)-7'-ethenyl-6'-methyl-10'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-tricyclo[5.2.1.01,6]decane]-9'-yl]oxy-dimethylsilane is sourced from PubChem (CID 134862820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).