benzyl decanoate;N,N-dimethylmethanamine

C20H35NO2 — CID 175539518

IUPACbenzyl decanoate;N,N-dimethylmethanamine
SMILESCCCCCCCCCC(=O)OCc1ccccc1.CN(C)C
InChIInChI=1S/C17H26O2.C3H9N/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16;1-4(2)3/h8-10,12-13H,2-7,11,14-15H2,1H3;1-3H3
InChIKeyVRKFPFBKTPYFHO-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.05
Rot. Bonds10

About benzyl decanoate;N,N-dimethylmethanamine

benzyl decanoate;N,N-dimethylmethanamine (PubChem CID 175539518) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is benzyl decanoate;N,N-dimethylmethanamine.

Molecular Properties

Compound Namebenzyl decanoate;N,N-dimethylmethanamine
PubChem CID175539518
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Namebenzyl decanoate;N,N-dimethylmethanamine
SMILESCCCCCCCCCC(=O)OCc1ccccc1.CN(C)C
InChIInChI=1S/C17H26O2.C3H9N/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16;1-4(2)3/h8-10,12-13H,2-7,11,14-15H2,1H3;1-3H3
InChIKeyVRKFPFBKTPYFHO-UHFFFAOYSA-N
XLogP5.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.05
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

benzyl heptadecanoate
CID 522569
7-aminoheptanoic acid;benzyl octanoate
CID 160732749
4-O-benzyl 1-O-octyl butanedioate
CID 528266
benzyl 12-methoxyoctadecanoate
CID 174381311
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
benzyl 12-hexanoyloxyoctadecanoate
CID 171545043
benzyl 5-(dimethylamino)pentanoate
CID 66632292
benzyl hexanoate;trifluoromethanesulfonic acid
CID 175173676
benzyl 12-oxotridecanoate
CID 21035822
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
(4-propylphenyl)methyl decanoate
CID 23119708
benzyl 6-hydroxydecanoate
CID 154601453

Frequently Asked Questions

What is the IUPAC name of benzyl decanoate;N,N-dimethylmethanamine?
The IUPAC name of benzyl decanoate;N,N-dimethylmethanamine (CID 175539518) is benzyl decanoate;N,N-dimethylmethanamine.
What is the SMILES notation for benzyl decanoate;N,N-dimethylmethanamine?
The canonical SMILES for benzyl decanoate;N,N-dimethylmethanamine is CCCCCCCCCC(=O)OCc1ccccc1.CN(C)C.
What is the InChIKey of benzyl decanoate;N,N-dimethylmethanamine?
The InChIKey is VRKFPFBKTPYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C3H9N/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16;1-4(2)3/h8-10,12-13H,2-7,11,14-15H2,1H3;1-3H3.
What are the key properties of benzyl decanoate;N,N-dimethylmethanamine?
benzyl decanoate;N,N-dimethylmethanamine has a molecular weight of 321.51 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl decanoate;N,N-dimethylmethanamine is sourced from PubChem (CID 175539518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).