(11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane

C16H26O3Si — CID 70625277

IUPAC(11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane
SMILESCC1OC2C=C3C=C(O[Si](C)(C)C)CCC3C(O1)C2C
InChIInChI=1S/C16H26O3Si/c1-10-15-9-12-8-13(19-20(3,4)5)6-7-14(12)16(10)18-11(2)17-15/h8-11,14-16H,6-7H2,1-5H3
InChIKeyANCINCKBRWXLED-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.84
Rot. Bonds2

About (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane

(11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane (PubChem CID 70625277) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane
PubChem CID70625277
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane
SMILESCC1OC2C=C3C=C(O[Si](C)(C)C)CCC3C(O1)C2C
InChIInChI=1S/C16H26O3Si/c1-10-15-9-12-8-13(19-20(3,4)5)6-7-14(12)16(10)18-11(2)17-15/h8-11,14-16H,6-7H2,1-5H3
InChIKeyANCINCKBRWXLED-UHFFFAOYSA-N
XLogP3.84
TPSA27.69 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 ≤ 53.84
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 (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane?
The IUPAC name of (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane (CID 70625277) is (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane.
What is the SMILES notation for (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane?
The canonical SMILES for (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane is CC1OC2C=C3C=C(O[Si](C)(C)C)CCC3C(O1)C2C.
What is the InChIKey of (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane?
The InChIKey is ANCINCKBRWXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-10-15-9-12-8-13(19-20(3,4)5)6-7-14(12)16(10)18-11(2)17-15/h8-11,14-16H,6-7H2,1-5H3.
What are the key properties of (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane?
(11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane has a molecular weight of 294.47 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11,13-dimethyl-10,12-dioxatricyclo[7.3.1.02,7]trideca-5,7-dien-5-yl)oxy-trimethylsilane is sourced from PubChem (CID 70625277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).