1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one

C14H24OSi2 — CID 10982328

IUPAC1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one
SMILESC[Si](C)(C)C1=C2CCCC2=C([Si](C)(C)C)C1=O
InChIInChI=1S/C14H24OSi2/c1-16(2,3)13-10-8-7-9-11(10)14(12(13)15)17(4,5)6/h7-9H2,1-6H3
InChIKeyGHRHIJZHXAYNJT-UHFFFAOYSA-N
MW264.52 g/mol
LogP4.10
Rot. Bonds2

About 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one

1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one (PubChem CID 10982328) has the molecular formula C14H24OSi2 and a molecular weight of 264.52 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one.

Molecular Properties

Compound Name1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one
PubChem CID10982328
Molecular FormulaC14H24OSi2
Molecular Weight264.52 g/mol
Exact Mass264.14
IUPAC Name1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one
SMILESC[Si](C)(C)C1=C2CCCC2=C([Si](C)(C)C)C1=O
InChIInChI=1S/C14H24OSi2/c1-16(2,3)13-10-8-7-9-11(10)14(12(13)15)17(4,5)6/h7-9H2,1-6H3
InChIKeyGHRHIJZHXAYNJT-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one?
The IUPAC name of 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one (CID 10982328) is 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one.
What is the SMILES notation for 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one?
The canonical SMILES for 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one is C[Si](C)(C)C1=C2CCCC2=C([Si](C)(C)C)C1=O.
What is the InChIKey of 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one?
The InChIKey is GHRHIJZHXAYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi2/c1-16(2,3)13-10-8-7-9-11(10)14(12(13)15)17(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one?
1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one has a molecular weight of 264.52 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyl)-5,6-dihydro-4H-pentalen-2-one is sourced from PubChem (CID 10982328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).