cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one

C14H26O2Si — CID 10890471

IUPACcis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-11-9-12(15)10-13(11)16-17(5,6)14(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-,13-/m0/s1
InChIKeyUTXQTOTYIUBBFH-AAEUAGOBSA-N
MW254.45 g/mol
LogP3.93
Rot. Bonds4

About cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one

cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one (PubChem CID 10890471) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one
PubChem CID10890471
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Namecis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-11-9-12(15)10-13(11)16-17(5,6)14(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-,13-/m0/s1
InChIKeyUTXQTOTYIUBBFH-AAEUAGOBSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.93
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

cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
CID 11808159
(1R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-one
CID 11436361
(3S,3aR,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,7,7a-hexahydroinden-1-one
CID 12167631
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-one
CID 44604916
(4R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-one
CID 134855675
trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 134892821
(3S,3aS,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,7,7a-hexahydroinden-1-one
CID 134980131
(1S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-6-en-2-one
CID 164667421
cis-(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclopentan-1-one
CID 141723941
3-[Tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclopentan-1-one
CID 153715213
trans-(3R,4S)-3-[(Z)-oct-2-enyl]-4-triethylsilyloxycyclopentan-1-one
CID 173615268
2-Methyl-1-(2-trimethylsilyloxycyclopentyl)prop-2-en-1-one
CID 173672863

Frequently Asked Questions

What is the IUPAC name of cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one?
The IUPAC name of cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one (CID 10890471) is cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one?
The canonical SMILES for cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one is C=CC[C@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one?
The InChIKey is UTXQTOTYIUBBFH-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-8-11-9-12(15)10-13(11)16-17(5,6)14(2,3)4/h7,11,13H,1,8-10H2,2-6H3/t11-,13-/m0/s1.
What are the key properties of cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one?
cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 10890471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).