spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane

C19H30O3Si — CID 90710044

IUPACspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane
SMILESC[Si](C)(C)C.O=C1CC2(CC3CC2C2C4CCC(C4)C32)C(=O)O1
InChIInChI=1S/C15H18O3.C4H12Si/c16-11-6-15(14(17)18-11)5-9-4-10(15)13-8-2-1-7(3-8)12(9)13;1-5(2,3)4/h7-10,12-13H,1-6H2;1-4H3
InChIKeySPHDOFFEKOLTKN-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.10
Rot. Bonds

About spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane

spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane (PubChem CID 90710044) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane.

Molecular Properties

Compound Namespiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane
PubChem CID90710044
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Namespiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane
SMILESC[Si](C)(C)C.O=C1CC2(CC3CC2C2C4CCC(C4)C32)C(=O)O1
InChIInChI=1S/C15H18O3.C4H12Si/c16-11-6-15(14(17)18-11)5-9-4-10(15)13-8-2-1-7(3-8)12(9)13;1-5(2,3)4/h7-10,12-13H,1-6H2;1-4H3
InChIKeySPHDOFFEKOLTKN-UHFFFAOYSA-N
XLogP4.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 21344443
2-methylpropane;spiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 90930023
(1'R)-9'-methylspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
CID 129013855
spiro[3-oxabicyclo[3.2.1]octane-6,3'-oxolane]-2,2',4,5'-tetrone
CID 59768862
(1R,2R,4S)-spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 131985112
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
9-butyl-2-oxaspiro[4.4]nonane-1,3-dione
CID 121016385
[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 153180704
4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 155725158
6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
CID 43134859
10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
CID 90266543

Frequently Asked Questions

What is the IUPAC name of spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane?
The IUPAC name of spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane (CID 90710044) is spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane.
What is the SMILES notation for spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane?
The canonical SMILES for spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane is C[Si](C)(C)C.O=C1CC2(CC3CC2C2C4CCC(C4)C32)C(=O)O1.
What is the InChIKey of spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane?
The InChIKey is SPHDOFFEKOLTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3.C4H12Si/c16-11-6-15(14(17)18-11)5-9-4-10(15)13-8-2-1-7(3-8)12(9)13;1-5(2,3)4/h7-10,12-13H,1-6H2;1-4H3.
What are the key properties of spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane?
spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane has a molecular weight of 334.53 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane is sourced from PubChem (CID 90710044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).