(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal

C19H42O3Si2 — CID 138980516

IUPAC(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-18(2,3)23(7,8)21-16-12-11-13-17(14-15-20)22-24(9,10)19(4,5)6/h15,17H,11-14,16H2,1-10H3/t17-/m1/s1
InChIKeySTROETLKKQTJQF-QGZVFWFLSA-N
MW374.71 g/mol
LogP6.16
Rot. Bonds10

About (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal

(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal (PubChem CID 138980516) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal.

Molecular Properties

Compound Name(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal
PubChem CID138980516
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-18(2,3)23(7,8)21-16-12-11-13-17(14-15-20)22-24(9,10)19(4,5)6/h15,17H,11-14,16H2,1-10H3/t17-/m1/s1
InChIKeySTROETLKKQTJQF-QGZVFWFLSA-N
XLogP6.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctanal
CID 11345944
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
(3R)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 10803167
(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal
CID 11988980
(3S)-3-[tert-butyl(dimethyl)silyl]oxydecanal
CID 15308747
(3S,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]octanal
CID 25257955
(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]octadecanal
CID 46180568
(3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedial
CID 134970719
(3S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxyheptanal
CID 135040208
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465
(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradec-13-ynal
CID 139251426

Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal?
The IUPAC name of (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal (CID 138980516) is (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal.
What is the SMILES notation for (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal?
The canonical SMILES for (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal is CC(C)(C)[Si](C)(C)OCCCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal?
The InChIKey is STROETLKKQTJQF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-18(2,3)23(7,8)21-16-12-11-13-17(14-15-20)22-24(9,10)19(4,5)6/h15,17H,11-14,16H2,1-10H3/t17-/m1/s1.
What are the key properties of (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal?
(3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal has a molecular weight of 374.71 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptanal is sourced from PubChem (CID 138980516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).