(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal

C23H32O2Si — CID 10937503

IUPAC(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
SMILESCCCCC[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-5-6-9-14-20(19-24)25-26(23(2,3)4,21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-13,15-20H,5-6,9,14H2,1-4H3/t20-/m0/s1
InChIKeyVWJFQWILUZJKIB-FQEVSTJZSA-N
MW368.59 g/mol
LogP4.71
Rot. Bonds9

About (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal

(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal (PubChem CID 10937503) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
PubChem CID10937503
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
SMILESCCCCC[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-5-6-9-14-20(19-24)25-26(23(2,3)4,21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-13,15-20H,5-6,9,14H2,1-4H3/t20-/m0/s1
InChIKeyVWJFQWILUZJKIB-FQEVSTJZSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
CID 54559685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal?
The IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal (CID 10937503) is (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal.
What is the SMILES notation for (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal?
The canonical SMILES for (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal is CCCCC[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal?
The InChIKey is VWJFQWILUZJKIB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-5-6-9-14-20(19-24)25-26(23(2,3)4,21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-13,15-20H,5-6,9,14H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal?
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal has a molecular weight of 368.59 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal is sourced from PubChem (CID 10937503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).