ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate

C17H26O5Si — CID 10712070

IUPACethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate
SMILESC=C1C[C@@H](C(=O)OCC)[C@](O)(c2ccoc2[Si](C)(C)C)C[C@@H]1O
InChIInChI=1S/C17H26O5Si/c1-6-21-15(19)13-9-11(2)14(18)10-17(13,20)12-7-8-22-16(12)23(3,4)5/h7-8,13-14,18,20H,2,6,9-10H2,1,3-5H3/t13-,14-,17+/m0/s1
InChIKeyOHXGULLZAUBNKB-GRDNDAEWSA-N
MW338.48 g/mol
LogP1.90
Rot. Bonds4

About ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate

ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate (PubChem CID 10712070) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate
PubChem CID10712070
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Nameethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate
SMILESC=C1C[C@@H](C(=O)OCC)[C@](O)(c2ccoc2[Si](C)(C)C)C[C@@H]1O
InChIInChI=1S/C17H26O5Si/c1-6-21-15(19)13-9-11(2)14(18)10-17(13,20)12-7-8-22-16(12)23(3,4)5/h7-8,13-14,18,20H,2,6,9-10H2,1,3-5H3/t13-,14-,17+/m0/s1
InChIKeyOHXGULLZAUBNKB-GRDNDAEWSA-N
XLogP1.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate (CID 10712070) is ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate is C=C1C[C@@H](C(=O)OCC)[C@](O)(c2ccoc2[Si](C)(C)C)C[C@@H]1O.
What is the InChIKey of ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate?
The InChIKey is OHXGULLZAUBNKB-GRDNDAEWSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-6-21-15(19)13-9-11(2)14(18)10-17(13,20)12-7-8-22-16(12)23(3,4)5/h7-8,13-14,18,20H,2,6,9-10H2,1,3-5H3/t13-,14-,17+/m0/s1.
What are the key properties of ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate?
ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate has a molecular weight of 338.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2S,4S)-2,4-dihydroxy-5-methylidene-2-(2-trimethylsilylfuran-3-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 10712070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).