3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one

C16H26O3Si — CID 101272271

IUPAC3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one
SMILESCC1(C)OCC2(CO1)CC(=O)C=C(/C=C/[Si](C)(C)C)C2
InChIInChI=1S/C16H26O3Si/c1-15(2)18-11-16(12-19-15)9-13(8-14(17)10-16)6-7-20(3,4)5/h6-8H,9-12H2,1-5H3/b7-6+
InChIKeyKVLYMEXYNQRECM-VOTSOKGWSA-N
MW294.47 g/mol
LogP3.48
Rot. Bonds2

About 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one

3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one (PubChem CID 101272271) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one.

Molecular Properties

Compound Name3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one
PubChem CID101272271
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one
SMILESCC1(C)OCC2(CO1)CC(=O)C=C(/C=C/[Si](C)(C)C)C2
InChIInChI=1S/C16H26O3Si/c1-15(2)18-11-16(12-19-15)9-13(8-14(17)10-16)6-7-20(3,4)5/h6-8H,9-12H2,1-5H3/b7-6+
InChIKeyKVLYMEXYNQRECM-VOTSOKGWSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The IUPAC name of 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one (CID 101272271) is 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one.
What is the SMILES notation for 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The canonical SMILES for 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one is CC1(C)OCC2(CO1)CC(=O)C=C(/C=C/[Si](C)(C)C)C2.
What is the InChIKey of 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The InChIKey is KVLYMEXYNQRECM-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-15(2)18-11-16(12-19-15)9-13(8-14(17)10-16)6-7-20(3,4)5/h6-8H,9-12H2,1-5H3/b7-6+.
What are the key properties of 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one?
3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one has a molecular weight of 294.47 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one is sourced from PubChem (CID 101272271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).