(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one

C20H36O4Si — CID 18605961

IUPAC(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1C(=O)C[C@H](OC2CCCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-7-10-15-16(14-23-25(5,6)20(2,3)4)18(13-17(15)21)24-19-11-8-9-12-22-19/h7,15-16,18-19H,1,8-14H2,2-6H3/t15-,16-,18-,19?/m0/s1
InChIKeyCKPHHNXGCKWIIE-KUORQNNRSA-N
MW368.59 g/mol
LogP4.70
Rot. Bonds7

About (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one

(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one (PubChem CID 18605961) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one
PubChem CID18605961
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@H]1C(=O)C[C@H](OC2CCCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-7-10-15-16(14-23-25(5,6)20(2,3)4)18(13-17(15)21)24-19-11-8-9-12-22-19/h7,15-16,18-19H,1,8-14H2,2-6H3/t15-,16-,18-,19?/m0/s1
InChIKeyCKPHHNXGCKWIIE-KUORQNNRSA-N
XLogP4.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one (CID 18605961) is (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one is C=CC[C@@H]1C(=O)C[C@H](OC2CCCCO2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one?
The InChIKey is CKPHHNXGCKWIIE-KUORQNNRSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-7-10-15-16(14-23-25(5,6)20(2,3)4)18(13-17(15)21)24-19-11-8-9-12-22-19/h7,15-16,18-19H,1,8-14H2,2-6H3/t15-,16-,18-,19?/m0/s1.
What are the key properties of (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one?
(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one has a molecular weight of 368.59 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 18605961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).