3-hydroxy-4-methyl-5-trityloxypentan-2-one

C25H26O3 — CID 13129941

IUPAC3-hydroxy-4-methyl-5-trityloxypentan-2-one
SMILESCC(=O)C(O)C(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-19(24(27)20(2)26)18-28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,24,27H,18H2,1-2H3
InChIKeyTTXMVTOZDIXDTC-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.58
Rot. Bonds8

About 3-hydroxy-4-methyl-5-trityloxypentan-2-one

3-hydroxy-4-methyl-5-trityloxypentan-2-one (PubChem CID 13129941) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-trityloxypentan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-trityloxypentan-2-one
PubChem CID13129941
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name3-hydroxy-4-methyl-5-trityloxypentan-2-one
SMILESCC(=O)C(O)C(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-19(24(27)20(2)26)18-28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,24,27H,18H2,1-2H3
InChIKeyTTXMVTOZDIXDTC-UHFFFAOYSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide
CID 130195980
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
CID 11761668
(E,3R,4S)-1-tert-butylsulfanyl-4-methyl-5-trityloxypent-1-en-3-ol
CID 10049252
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
tert-butyl 2-amino-3-trityloxypropanoate
CID 68760349
1,4-ditrityloxybutan-2-ol
CID 13443283
4-trityloxybutane-1,3-diol
CID 14027583
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-trityloxypentan-2-one?
The IUPAC name of 3-hydroxy-4-methyl-5-trityloxypentan-2-one (CID 13129941) is 3-hydroxy-4-methyl-5-trityloxypentan-2-one.
What is the SMILES notation for 3-hydroxy-4-methyl-5-trityloxypentan-2-one?
The canonical SMILES for 3-hydroxy-4-methyl-5-trityloxypentan-2-one is CC(=O)C(O)C(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-4-methyl-5-trityloxypentan-2-one?
The InChIKey is TTXMVTOZDIXDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-19(24(27)20(2)26)18-28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,24,27H,18H2,1-2H3.
What are the key properties of 3-hydroxy-4-methyl-5-trityloxypentan-2-one?
3-hydroxy-4-methyl-5-trityloxypentan-2-one has a molecular weight of 374.48 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-trityloxypentan-2-one is sourced from PubChem (CID 13129941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).