(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol

C20H38O3Si — CID 11111018

IUPAC(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
SMILESC=C(CO)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H38O3Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19,21H,2,10-15H2,1,3-7H3/t16-,18-,19-/m0/s1
InChIKeyRBGHOPYPKNGNME-WDSOQIARSA-N
MW354.61 g/mol
LogP5.08
Rot. Bonds9

About (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol

(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol (PubChem CID 11111018) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol.

Molecular Properties

Compound Name(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
PubChem CID11111018
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
SMILESC=C(CO)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H38O3Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19,21H,2,10-15H2,1,3-7H3/t16-,18-,19-/m0/s1
InChIKeyRBGHOPYPKNGNME-WDSOQIARSA-N
XLogP5.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
The IUPAC name of (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol (CID 11111018) is (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol.
What is the SMILES notation for (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
The canonical SMILES for (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol is C=C(CO)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
The InChIKey is RBGHOPYPKNGNME-WDSOQIARSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19,21H,2,10-15H2,1,3-7H3/t16-,18-,19-/m0/s1.
What are the key properties of (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol has a molecular weight of 354.61 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol is sourced from PubChem (CID 11111018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).