2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione

C19H32O2Si — CID 10245481

IUPAC2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione
SMILESCC(C)[Si](C#CCCC1(C)C(=O)CCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H32O2Si/c1-14(2)22(15(3)4,16(5)6)13-9-8-12-19(7)17(20)10-11-18(19)21/h14-16H,8,10-12H2,1-7H3
InChIKeyOWFQNIRXRCNEMV-UHFFFAOYSA-N
MW320.55 g/mol
LogP4.93
Rot. Bonds5

About 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione

2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione (PubChem CID 10245481) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione
PubChem CID10245481
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione
SMILESCC(C)[Si](C#CCCC1(C)C(=O)CCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H32O2Si/c1-14(2)22(15(3)4,16(5)6)13-9-8-12-19(7)17(20)10-11-18(19)21/h14-16H,8,10-12H2,1-7H3
InChIKeyOWFQNIRXRCNEMV-UHFFFAOYSA-N
XLogP4.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
2,2,4-Trimethyl-4-trimethylsilylethynylcyclopentane-1,3-dione
CID 551038
2-Hex-4-ynyl-2-methylcyclopentane-1,3-dione
CID 10241672
2-Methyl-2-oct-3-ynylcyclopentane-1,3-dione
CID 10331063
2-Methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentane-1,3-dione
CID 10376844
2-Methyl-2-(4-trimethylsilylbut-3-ynyl)cyclopentan-1-one
CID 10537031
3,3-Bis[4-(trimethylsilyl)-3-butynyl]cyclopentanone
CID 12583074
3-Methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 25260242
2,2-Bis(2-triethylsilylethynyl)cyclododecan-1-one
CID 86233972
5,5-Dimethyl-8-(trimethylsilyl)-7-octyne-2,4-dione
CID 90482806
2,2-Bis(2-triethylsilylethynyl)cyclopentadecan-1-one
CID 101392753
trans-(2S,5R)-2,5-bis(2,2-dimethylpropyl)-2-(2-triethylsilylethynyl)cyclopentan-1-one
CID 101392984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione?
The IUPAC name of 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione (CID 10245481) is 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione.
What is the SMILES notation for 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione?
The canonical SMILES for 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione is CC(C)[Si](C#CCCC1(C)C(=O)CCC1=O)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione?
The InChIKey is OWFQNIRXRCNEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-14(2)22(15(3)4,16(5)6)13-9-8-12-19(7)17(20)10-11-18(19)21/h14-16H,8,10-12H2,1-7H3.
What are the key properties of 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione?
2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione has a molecular weight of 320.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-tri(propan-2-yl)silylbut-3-ynyl]cyclopentane-1,3-dione is sourced from PubChem (CID 10245481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).