methyl (5R)-5-methoxytriacontanoate

C32H64O3 — CID 163033188

IUPACmethyl (5R)-5-methoxytriacontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)OC
InChIInChI=1S/C32H64O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31(34-2)29-27-30-32(33)35-3/h31H,4-30H2,1-3H3/t31-/m1/s1
InChIKeyXTHKXBHMEMIFBA-WJOKGBTCSA-N
MW496.86 g/mol
LogP10.73
Rot. Bonds29

About methyl (5R)-5-methoxytriacontanoate

methyl (5R)-5-methoxytriacontanoate (PubChem CID 163033188) has the molecular formula C32H64O3 and a molecular weight of 496.86 g/mol. Its IUPAC name is methyl (5R)-5-methoxytriacontanoate.

Molecular Properties

Compound Namemethyl (5R)-5-methoxytriacontanoate
PubChem CID163033188
Molecular FormulaC32H64O3
Molecular Weight496.86 g/mol
Exact Mass496.49
IUPAC Namemethyl (5R)-5-methoxytriacontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)OC
InChIInChI=1S/C32H64O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31(34-2)29-27-30-32(33)35-3/h31H,4-30H2,1-3H3/t31-/m1/s1
InChIKeyXTHKXBHMEMIFBA-WJOKGBTCSA-N
XLogP10.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isopropyl Myristate
CID 8042
Isopropyl Palmitate
CID 8907
Methyl 5-hydroxydecanoate
CID 14029718
Isopropyl Stearate
CID 8162
Isopropyl Behenate
CID 3015300
Ethyl 5-acetoxyoctanoate
CID 118225
Isopropyl Arachidate
CID 3015298
Tetrahydro-6-pentadecyl-2H-pyran-2-one
CID 526795
delta-Octadecalactone
CID 518573
Tetradecyleicosyl Stearate
CID 22287983
Octadecanoic acid, 12-((1-oxooctadecyl)oxy)-, octadecyl ester
CID 6453052
Ethyl 5-formyloxydecanoate
CID 71468629

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-methoxytriacontanoate?
The IUPAC name of methyl (5R)-5-methoxytriacontanoate (CID 163033188) is methyl (5R)-5-methoxytriacontanoate.
What is the SMILES notation for methyl (5R)-5-methoxytriacontanoate?
The canonical SMILES for methyl (5R)-5-methoxytriacontanoate is CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)OC.
What is the InChIKey of methyl (5R)-5-methoxytriacontanoate?
The InChIKey is XTHKXBHMEMIFBA-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H64O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31(34-2)29-27-30-32(33)35-3/h31H,4-30H2,1-3H3/t31-/m1/s1.
What are the key properties of methyl (5R)-5-methoxytriacontanoate?
methyl (5R)-5-methoxytriacontanoate has a molecular weight of 496.86 g/mol, XLogP of 10.73, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-methoxytriacontanoate is sourced from PubChem (CID 163033188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).