8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

C8H12O3Si — CID 123560153

IUPAC8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1OCC2C3OC(CC3[SiH3])C12
InChIInChI=1S/C8H12O3Si/c9-8-6-3(2-10-8)7-5(12)1-4(6)11-7/h3-7H,1-2H2,12H3
InChIKeyROXHIWOCMIJRCW-UHFFFAOYSA-N
MW184.27 g/mol
LogP-0.90
Rot. Bonds

About 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 123560153) has the molecular formula C8H12O3Si and a molecular weight of 184.27 g/mol. Its IUPAC name is 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID123560153
Molecular FormulaC8H12O3Si
Molecular Weight184.27 g/mol
Exact Mass184.06
IUPAC Name8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1OCC2C3OC(CC3[SiH3])C12
InChIInChI=1S/C8H12O3Si/c9-8-6-3(2-10-8)7-5(12)1-4(6)11-7/h3-7H,1-2H2,12H3
InChIKeyROXHIWOCMIJRCW-UHFFFAOYSA-N
XLogP-0.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Norcantharidin
CID 9877482
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-
CID 93004
(4R,7S)-Hexahydro-4,7-epoxyisobenzofuran-1,3-dione
CID 6852411
(1R,2R,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 12251907
4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
CID 170987
(1R,2S,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 11030035
(1R,2S,6S,7S)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 168298305
(1S,2S,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 12251906
Lopac-N-8784
CID 6603949
2,6-Dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 304676
(1S,2S,6S,7R)-2-fluoro-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 101115426
rel-(3a'R,4'S,7'R,7a'S)-hexahydro-3'H-spiro[cyclopentane-1,1'-[2,8]dioxa[4,7]epoxy[2]benzofuran]-3'-one
CID 640549

Frequently Asked Questions

What is the IUPAC name of 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (CID 123560153) is 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is O=C1OCC2C3OC(CC3[SiH3])C12.
What is the InChIKey of 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is ROXHIWOCMIJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3Si/c9-8-6-3(2-10-8)7-5(12)1-4(6)11-7/h3-7H,1-2H2,12H3.
What are the key properties of 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 184.27 g/mol, XLogP of -0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-silyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 123560153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).