2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol

C22H44O3Si — CID 11292059

IUPAC2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
SMILESCC(C)C/C=C/[C@@H](C[C@@H]1CC[C@H](C)[C@@H](CCO)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-17(2)10-9-11-20(25-26(7,8)22(4,5)6)16-19-13-12-18(3)21(24-19)14-15-23/h9,11,17-21,23H,10,12-16H2,1-8H3/b11-9+/t18-,19-,20-,21+/m0/s1
InChIKeySNVAOXJPJYADOO-QEJORYRSSA-N
MW384.68 g/mol
LogP5.94
Rot. Bonds9

About 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol

2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol (PubChem CID 11292059) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
PubChem CID11292059
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
SMILESCC(C)C/C=C/[C@@H](C[C@@H]1CC[C@H](C)[C@@H](CCO)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-17(2)10-9-11-20(25-26(7,8)22(4,5)6)16-19-13-12-18(3)21(24-19)14-15-23/h9,11,17-21,23H,10,12-16H2,1-8H3/b11-9+/t18-,19-,20-,21+/m0/s1
InChIKeySNVAOXJPJYADOO-QEJORYRSSA-N
XLogP5.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 55.94
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 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol?
The IUPAC name of 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol (CID 11292059) is 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol is CC(C)C/C=C/[C@@H](C[C@@H]1CC[C@H](C)[C@@H](CCO)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol?
The InChIKey is SNVAOXJPJYADOO-QEJORYRSSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-17(2)10-9-11-20(25-26(7,8)22(4,5)6)16-19-13-12-18(3)21(24-19)14-15-23/h9,11,17-21,23H,10,12-16H2,1-8H3/b11-9+/t18-,19-,20-,21+/m0/s1.
What are the key properties of 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol?
2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol has a molecular weight of 384.68 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol is sourced from PubChem (CID 11292059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).