butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C17H28O5Si — CID 90943066

IUPACbutyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCCC[Si](OC)(OC)OC.O=C1CC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H10O2.C7H18O3Si/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10;1-5-6-7-11(8-2,9-3)10-4/h1-2,5-6,9-10H,3-4H2;5-7H2,1-4H3
InChIKeySFLGHUQHICUSJZ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.63
Rot. Bonds6

About butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 90943066) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Namebutyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID90943066
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Namebutyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCCC[Si](OC)(OC)OC.O=C1CC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H10O2.C7H18O3Si/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10;1-5-6-7-11(8-2,9-3)10-4/h1-2,5-6,9-10H,3-4H2;5-7H2,1-4H3
InChIKeySFLGHUQHICUSJZ-UHFFFAOYSA-N
XLogP2.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S,5R,6S,7R)-5-methyl-4-[(Z)-pent-2-enyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 134874799
(1R,2R,4S,5R,6S,7S)-5-methyl-4-pentyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11543183
(1R,2R,4S,5R,6S,7S)-4-hexyl-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11586824
(1R,2R,4S,5R,6R,7S)-5-butyl-4-propyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11630151
3a,4,7,7a-Tetrahydro-1H-4,7-methanoindene-1,3(2H)-dione
CID 13587181
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 13587183
4-(4-Methylpentyl)tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 22895828
4-Prop-1-en-2-yltricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 54400556
(1R,2S,6R,7S)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 59016862
(1S,2S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 71147670
But-1-ene;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 91024095
Pentane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 91149899

Frequently Asked Questions

What is the IUPAC name of butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 90943066) is butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CCCC[Si](OC)(OC)OC.O=C1CC(=O)C2C3C=CC(C3)C12.
What is the InChIKey of butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is SFLGHUQHICUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C7H18O3Si/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10;1-5-6-7-11(8-2,9-3)10-4/h1-2,5-6,9-10H,3-4H2;5-7H2,1-4H3.
What are the key properties of butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 340.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 90943066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).