(4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

C15H26O2Si — CID 67641271

IUPAC(4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESC=CC(C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H26O2Si/c1-8-11(2)13-9-12(10-14(13)16)17-18(6,7)15(3,4)5/h8-9,11-12H,1,10H2,2-7H3/t11?,12-/m0/s1
InChIKeyLOHZQXPCDHUCQN-KIYNQFGBSA-N
MW266.46 g/mol
LogP4.10
Rot. Bonds4

About (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

(4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 67641271) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID67641271
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESC=CC(C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C15H26O2Si/c1-8-11(2)13-9-12(10-14(13)16)17-18(6,7)15(3,4)5/h8-9,11-12H,1,10H2,2-7H3/t11?,12-/m0/s1
InChIKeyLOHZQXPCDHUCQN-KIYNQFGBSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
CID 11149438
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11184283
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
CID 91999208
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-methylcyclohex-2-en-1-one
CID 11687490
(5Z)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 9816792
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-one
CID 10987962
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 11369146
2-(Prop-2-yn-1-yl)-4-[(triethylsilyl)oxy]cyclopent-2-en-1-one
CID 13519197
(RS)-3-allyl-4-oxo-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 14189022
(R)-2-allyl-4-(tert-butyldimethylsilyloxy)cyclopent-2-enone
CID 14189023

Frequently Asked Questions

What is the IUPAC name of (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 67641271) is (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is C=CC(C)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is LOHZQXPCDHUCQN-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-8-11(2)13-9-12(10-14(13)16)17-18(6,7)15(3,4)5/h8-9,11-12H,1,10H2,2-7H3/t11?,12-/m0/s1.
What are the key properties of (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
(4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 266.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-but-3-en-2-yl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 67641271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).