(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol

C23H32O3Si — CID 15318695

IUPAC(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
SMILESCC(C)(C)[Si](OC[C@H](O)[C@H]1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-18-21(24)22-16-10-11-17-25-22/h4-9,12-15,21-22,24H,10-11,16-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyRDURYGNCNYGRLK-FCHUYYIVSA-N
MW384.59 g/mol
LogP3.49
Rot. Bonds6

About (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol

(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol (PubChem CID 15318695) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
PubChem CID15318695
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
SMILESCC(C)(C)[Si](OC[C@H](O)[C@H]1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-18-21(24)22-16-10-11-17-25-22/h4-9,12-15,21-22,24H,10-11,16-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyRDURYGNCNYGRLK-FCHUYYIVSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 101079089
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5S)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 101079090
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 10972716
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methyl-3-(oxan-2-yloxy)pentanoate
CID 100984372
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
(1S)-1-[(3aR,7aS)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2-yl]-2-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]ethanol
CID 135010313
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
CID 175678466

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol?
The IUPAC name of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol (CID 15318695) is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol.
What is the SMILES notation for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol?
The canonical SMILES for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol is CC(C)(C)[Si](OC[C@H](O)[C@H]1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol?
The InChIKey is RDURYGNCNYGRLK-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-23(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-18-21(24)22-16-10-11-17-25-22/h4-9,12-15,21-22,24H,10-11,16-18H2,1-3H3/t21-,22+/m0/s1.
What are the key properties of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol?
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol has a molecular weight of 384.59 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol is sourced from PubChem (CID 15318695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).