1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone

C15H28O2Si — CID 134870674

IUPAC1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C1(C(C)=O)CC1
InChIInChI=1S/C15H28O2Si/c1-8-9-13(15(10-11-15)12(2)16)17-18(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3/t13-/m0/s1
InChIKeyVCPBSHFNVNHEJD-ZDUSSCGKSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds6

About 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone

1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone (PubChem CID 134870674) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone
PubChem CID134870674
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C1(C(C)=O)CC1
InChIInChI=1S/C15H28O2Si/c1-8-9-13(15(10-11-15)12(2)16)17-18(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3/t13-/m0/s1
InChIKeyVCPBSHFNVNHEJD-ZDUSSCGKSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-enal
CID 134838803
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-one
CID 134856833
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134857529
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one
CID 11055220
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-7-en-3-one
CID 12080792
(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one
CID 53235638
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one
CID 101028666
(3R)-2,2-dimethyl-3-triethylsilyloxyhex-5-enal
CID 101776732
(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-en-2-one
CID 101882211
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-one
CID 102329904
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-one
CID 102329905

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone (CID 134870674) is 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone is C=CC[C@H](O[Si](C)(C)C(C)(C)C)C1(C(C)=O)CC1.
What is the InChIKey of 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone?
The InChIKey is VCPBSHFNVNHEJD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-9-13(15(10-11-15)12(2)16)17-18(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3/t13-/m0/s1.
What are the key properties of 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone?
1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone has a molecular weight of 268.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone is sourced from PubChem (CID 134870674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).