(1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one

C17H24O2Si — CID 135023410

IUPAC(1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one
SMILESCC1=C2C(=O)C([Si](C)(C)C)=C3CC[C@H]4OC[C@H](CC1)[C@]324
InChIInChI=1S/C17H24O2Si/c1-10-5-6-11-9-19-13-8-7-12-16(20(2,3)4)15(18)14(10)17(11,12)13/h11,13H,5-9H2,1-4H3/t11-,13+,17+/m0/s1
InChIKeyLTILSTLVBDFIGH-XTQGRXLLSA-N
MW288.46 g/mol
LogP3.65
Rot. Bonds1

About (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one

(1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one (PubChem CID 135023410) has the molecular formula C17H24O2Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one.

Molecular Properties

Compound Name(1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one
PubChem CID135023410
Molecular FormulaC17H24O2Si
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name(1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one
SMILESCC1=C2C(=O)C([Si](C)(C)C)=C3CC[C@H]4OC[C@H](CC1)[C@]324
InChIInChI=1S/C17H24O2Si/c1-10-5-6-11-9-19-13-8-7-12-16(20(2,3)4)15(18)14(10)17(11,12)13/h11,13H,5-9H2,1-4H3/t11-,13+,17+/m0/s1
InChIKeyLTILSTLVBDFIGH-XTQGRXLLSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.65
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 (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one?
The IUPAC name of (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one (CID 135023410) is (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one.
What is the SMILES notation for (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one?
The canonical SMILES for (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one is CC1=C2C(=O)C([Si](C)(C)C)=C3CC[C@H]4OC[C@H](CC1)[C@]324.
What is the InChIKey of (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one?
The InChIKey is LTILSTLVBDFIGH-XTQGRXLLSA-N. The full InChI is InChI=1S/C17H24O2Si/c1-10-5-6-11-9-19-13-8-7-12-16(20(2,3)4)15(18)14(10)17(11,12)13/h11,13H,5-9H2,1-4H3/t11-,13+,17+/m0/s1.
What are the key properties of (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one?
(1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one has a molecular weight of 288.46 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,14R)-7-methyl-10-trimethylsilyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-7,10-dien-9-one is sourced from PubChem (CID 135023410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).