2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one

C22H46OSi2 — CID 140856616

IUPAC2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one
SMILESCC(=C=O)C([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46OSi2/c1-15(2)24(16(3)4,17(5)6)22(21(13)14-23)25(18(7)8,19(9)10)20(11)12/h15-20,22H,1-13H3
InChIKeySSJADVFCAQRDHO-UHFFFAOYSA-N
MW382.78 g/mol
LogP8.03
Rot. Bonds9

About 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one

2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one (PubChem CID 140856616) has the molecular formula C22H46OSi2 and a molecular weight of 382.78 g/mol. Its IUPAC name is 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one.

Molecular Properties

Compound Name2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one
PubChem CID140856616
Molecular FormulaC22H46OSi2
Molecular Weight382.78 g/mol
Exact Mass382.31
IUPAC Name2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one
SMILESCC(=C=O)C([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46OSi2/c1-15(2)24(16(3)4,17(5)6)22(21(13)14-23)25(18(7)8,19(9)10)20(11)12/h15-20,22H,1-13H3
InChIKeySSJADVFCAQRDHO-UHFFFAOYSA-N
XLogP8.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.78
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one?
The IUPAC name of 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one (CID 140856616) is 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one.
What is the SMILES notation for 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one?
The canonical SMILES for 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one is CC(=C=O)C([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one?
The InChIKey is SSJADVFCAQRDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46OSi2/c1-15(2)24(16(3)4,17(5)6)22(21(13)14-23)25(18(7)8,19(9)10)20(11)12/h15-20,22H,1-13H3.
What are the key properties of 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one?
2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one has a molecular weight of 382.78 g/mol, XLogP of 8.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one is sourced from PubChem (CID 140856616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).