(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal

C16H32O4Si — CID 11099136

IUPAC(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal
SMILESCO[C@H]1C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C16H32O4Si/c1-11-9-13(18-6)14(12(2)10-17)19-15(11)20-21(7,8)16(3,4)5/h10-15H,9H2,1-8H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyGMKMWAQANQQSTP-BTFPBAQTSA-N
MW316.51 g/mol
LogP3.61
Rot. Bonds5

About (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal

(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal (PubChem CID 11099136) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal
PubChem CID11099136
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal
SMILESCO[C@H]1C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C16H32O4Si/c1-11-9-13(18-6)14(12(2)10-17)19-15(11)20-21(7,8)16(3,4)5/h10-15H,9H2,1-8H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyGMKMWAQANQQSTP-BTFPBAQTSA-N
XLogP3.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptanal
CID 25052809
(2S)-2-[(5aR,7S,8S,9aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,5a,7,8,9,9a-hexahydro-4H-pyrano[3,2-d][1,3]dioxepin-7-yl]propanal
CID 101368660
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,6-dimethoxyoxan-4-yl)-2-methylbutanal
CID 134875261
(2R)-2-[(5aR,7S,8S,9aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,5a,7,8,9,9a-hexahydro-4H-pyrano[3,2-d][1,3]dioxepin-7-yl]propanal
CID 135079130
2-[(2S,3S,4S,5R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloxan-2-yl]acetaldehyde
CID 24860034
2-[(2S,3S,4S,5R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloxan-2-yl]acetaldehyde
CID 89290013
(4R)-4-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanal
CID 167622270
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-2-methylbutanal
CID 10498770
2-[(2S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-4-methyloxan-2-yl]acetaldehyde
CID 10884542
3-[(2S,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]propanal
CID 10892885
2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde
CID 10907405
2-[(2S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]acetaldehyde
CID 10967662

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal?
The IUPAC name of (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal (CID 11099136) is (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal is CO[C@H]1C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1[C@@H](C)C=O.
What is the InChIKey of (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal?
The InChIKey is GMKMWAQANQQSTP-BTFPBAQTSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-11-9-13(18-6)14(12(2)10-17)19-15(11)20-21(7,8)16(3,4)5/h10-15H,9H2,1-8H3/t11-,12-,13-,14+,15+/m0/s1.
What are the key properties of (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal?
(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal has a molecular weight of 316.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal is sourced from PubChem (CID 11099136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).