2-(dimethylamino)ethyl hexadecyl carbonate

C21H43NO3 — CID 71418420

IUPAC2-(dimethylamino)ethyl hexadecyl carbonate
SMILESCCCCCCCCCCCCCCCCOC(=O)OCCN(C)C
InChIInChI=1S/C21H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21(23)25-20-18-22(2)3/h4-20H2,1-3H3
InChIKeyHVXFLFXJXZRJHJ-UHFFFAOYSA-N
MW357.58 g/mol
LogP6.18
Rot. Bonds18

About 2-(dimethylamino)ethyl hexadecyl carbonate

2-(dimethylamino)ethyl hexadecyl carbonate (PubChem CID 71418420) has the molecular formula C21H43NO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl hexadecyl carbonate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl hexadecyl carbonate
PubChem CID71418420
Molecular FormulaC21H43NO3
Molecular Weight357.58 g/mol
Exact Mass357.32
IUPAC Name2-(dimethylamino)ethyl hexadecyl carbonate
SMILESCCCCCCCCCCCCCCCCOC(=O)OCCN(C)C
InChIInChI=1S/C21H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21(23)25-20-18-22(2)3/h4-20H2,1-3H3
InChIKeyHVXFLFXJXZRJHJ-UHFFFAOYSA-N
XLogP6.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl hexadecyl carbonate;hydrochloride
CID 71418419
dioctyl carbonate
CID 174882674
heptyl octyl carbonate
CID 21498015
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
4-O-[2-(dimethylamino)ethyl] 1-O-hexyl (E)-but-2-enedioate
CID 91693812
4-O-[2-(dimethylamino)ethyl] 1-O-octyl (E)-but-2-enedioate
CID 91693814
azane;dioctyl carbonate
CID 174626203
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
[9-[2-(dimethylamino)ethoxycarbonyloxy]-17-(3-pentyloctoxycarbonyloxy)heptadecyl] undecan-6-yl carbonate
CID 169026426
ethyl heptadecyl carbonate
CID 6421524

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl hexadecyl carbonate?
The IUPAC name of 2-(dimethylamino)ethyl hexadecyl carbonate (CID 71418420) is 2-(dimethylamino)ethyl hexadecyl carbonate.
What is the SMILES notation for 2-(dimethylamino)ethyl hexadecyl carbonate?
The canonical SMILES for 2-(dimethylamino)ethyl hexadecyl carbonate is CCCCCCCCCCCCCCCCOC(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl hexadecyl carbonate?
The InChIKey is HVXFLFXJXZRJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21(23)25-20-18-22(2)3/h4-20H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl hexadecyl carbonate?
2-(dimethylamino)ethyl hexadecyl carbonate has a molecular weight of 357.58 g/mol, XLogP of 6.18, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl hexadecyl carbonate is sourced from PubChem (CID 71418420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).