2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one

C23H40OSi2 — CID 101063553

IUPAC2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C)(C)C1=C(CCCC)C([Si](C)(C)CC=C)=C(CCCC)C1=O
InChIInChI=1S/C23H40OSi2/c1-9-13-15-19-21(24)23(26(7,8)18-12-4)20(16-14-10-2)22(19)25(5,6)17-11-3/h11-12H,3-4,9-10,13-18H2,1-2,5-8H3
InChIKeyKALRUZITJWPRHW-UHFFFAOYSA-N
MW388.74 g/mol
LogP7.41
Rot. Bonds12

About 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one

2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one (PubChem CID 101063553) has the molecular formula C23H40OSi2 and a molecular weight of 388.74 g/mol. Its IUPAC name is 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
PubChem CID101063553
Molecular FormulaC23H40OSi2
Molecular Weight388.74 g/mol
Exact Mass388.26
IUPAC Name2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
SMILESC=CC[Si](C)(C)C1=C(CCCC)C([Si](C)(C)CC=C)=C(CCCC)C1=O
InChIInChI=1S/C23H40OSi2/c1-9-13-15-19-21(24)23(26(7,8)18-12-4)20(16-14-10-2)22(19)25(5,6)17-11-3/h11-12H,3-4,9-10,13-18H2,1-2,5-8H3
InChIKeyKALRUZITJWPRHW-UHFFFAOYSA-N
XLogP7.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one with MolForge

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Related Compounds

(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
CID 12935868
(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one
CID 13212265
4-Butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one
CID 10803616
3-Trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
CID 12027223
3-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-one
CID 14175466
3-(1-Trimethylsilylpropa-1,2-dienyl)cyclohex-2-en-1-one
CID 14295007
3-trimethylsilyl-4,5-dihydro-1H-pentalen-2-one
CID 86174744
(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one
CID 134885224
7-Butyl-1-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
CID 135067575
2-methyl-3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one
CID 139263853
2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one
CID 139263854
3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one
CID 139263858

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The IUPAC name of 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one (CID 101063553) is 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one is C=CC[Si](C)(C)C1=C(CCCC)C([Si](C)(C)CC=C)=C(CCCC)C1=O.
What is the InChIKey of 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
The InChIKey is KALRUZITJWPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40OSi2/c1-9-13-15-19-21(24)23(26(7,8)18-12-4)20(16-14-10-2)22(19)25(5,6)17-11-3/h11-12H,3-4,9-10,13-18H2,1-2,5-8H3.
What are the key properties of 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one?
2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one has a molecular weight of 388.74 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-3,5-bis[dimethyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 101063553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).