(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one

C19H32O2Si — CID 5375856

IUPAC(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one
SMILESCC1(C)CC(=O)C2=C(/C=C(/O[Si](C)(C)C(C)(C)C)C1)CCC2
InChIInChI=1S/C19H32O2Si/c1-18(2,3)22(6,7)21-15-11-14-9-8-10-16(14)17(20)13-19(4,5)12-15/h11H,8-10,12-13H2,1-7H3/b15-11+
InChIKeyANCOFZDSHHKYAN-RVDMUPIBSA-N
MW320.55 g/mol
LogP5.76
Rot. Bonds2

About (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one

(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one (PubChem CID 5375856) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one.

Molecular Properties

Compound Name(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one
PubChem CID5375856
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one
SMILESCC1(C)CC(=O)C2=C(/C=C(/O[Si](C)(C)C(C)(C)C)C1)CCC2
InChIInChI=1S/C19H32O2Si/c1-18(2,3)22(6,7)21-15-11-14-9-8-10-16(14)17(20)13-19(4,5)12-15/h11H,8-10,12-13H2,1-7H3/b15-11+
InChIKeyANCOFZDSHHKYAN-RVDMUPIBSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one?
The IUPAC name of (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one (CID 5375856) is (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one.
What is the SMILES notation for (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one?
The canonical SMILES for (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one is CC1(C)CC(=O)C2=C(/C=C(/O[Si](C)(C)C(C)(C)C)C1)CCC2.
What is the InChIKey of (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one?
The InChIKey is ANCOFZDSHHKYAN-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-18(2,3)22(6,7)21-15-11-14-9-8-10-16(14)17(20)13-19(4,5)12-15/h11H,8-10,12-13H2,1-7H3/b15-11+.
What are the key properties of (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one?
(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one has a molecular weight of 320.55 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-2,3,5,7-tetrahydro-1H-cyclopenta[8]annulen-4-one is sourced from PubChem (CID 5375856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).