(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one

C27H38O3Si — CID 46844682

IUPAC(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one
SMILESCCC[C@H](C[C@H]1C[C@@H](C)CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O3Si/c1-6-13-22(20-23-18-21(2)19-26(28)29-23)30-31(27(3,4)5,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,21-23H,6,13,18-20H2,1-5H3/t21-,22-,23-/m1/s1
InChIKeyNSDQAWOXVCLYFR-DNVJHFABSA-N
MW438.68 g/mol
LogP5.46
Rot. Bonds8

About (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one

(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one (PubChem CID 46844682) has the molecular formula C27H38O3Si and a molecular weight of 438.68 g/mol. Its IUPAC name is (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one
PubChem CID46844682
Molecular FormulaC27H38O3Si
Molecular Weight438.68 g/mol
Exact Mass438.26
IUPAC Name(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one
SMILESCCC[C@H](C[C@H]1C[C@@H](C)CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O3Si/c1-6-13-22(20-23-18-21(2)19-26(28)29-23)30-31(27(3,4)5,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,21-23H,6,13,18-20H2,1-5H3/t21-,22-,23-/m1/s1
InChIKeyNSDQAWOXVCLYFR-DNVJHFABSA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
(3Z)-5-[bis[[tert-butyl(diphenyl)silyl]oxy]methyl]-3-octadec-9-enylideneoxolan-2-one
CID 67605197
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
(2S)-4-[(2R,5E,8R,11E,15E,19E)-2-[tert-butyl(diphenyl)silyl]oxy-8-hydroxydotriaconta-5,11,15,19-tetraenyl]-2-methyl-2H-furan-5-one
CID 11040097
(3S,4S,6S)-6-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypentan-2-yl]-3-hydroxy-3-[(1S)-1-hydroxypropyl]-4-phenylmethoxyoxan-2-one
CID 11215597

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one?
The IUPAC name of (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one (CID 46844682) is (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one.
What is the SMILES notation for (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one?
The canonical SMILES for (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one is CCC[C@H](C[C@H]1C[C@@H](C)CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one?
The InChIKey is NSDQAWOXVCLYFR-DNVJHFABSA-N. The full InChI is InChI=1S/C27H38O3Si/c1-6-13-22(20-23-18-21(2)19-26(28)29-23)30-31(27(3,4)5,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,21-23H,6,13,18-20H2,1-5H3/t21-,22-,23-/m1/s1.
What are the key properties of (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one?
(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one has a molecular weight of 438.68 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one is sourced from PubChem (CID 46844682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).