acetic acid;1-dodecylpyrrolidine

C18H37NO2 — CID 175583827

IUPACacetic acid;1-dodecylpyrrolidine
SMILESCC(=O)O.CCCCCCCCCCCCN1CCCC1
InChIInChI=1S/C16H33N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17;1-2(3)4/h2-16H2,1H3;1H3,(H,3,4)
InChIKeyONYQKUSEEZHQSK-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.09
Rot. Bonds11

About acetic acid;1-dodecylpyrrolidine

acetic acid;1-dodecylpyrrolidine (PubChem CID 175583827) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is acetic acid;1-dodecylpyrrolidine.

Molecular Properties

Compound Nameacetic acid;1-dodecylpyrrolidine
PubChem CID175583827
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Nameacetic acid;1-dodecylpyrrolidine
SMILESCC(=O)O.CCCCCCCCCCCCN1CCCC1
InChIInChI=1S/C16H33N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17;1-2(3)4/h2-16H2,1H3;1H3,(H,3,4)
InChIKeyONYQKUSEEZHQSK-UHFFFAOYSA-N
XLogP5.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1-nonylpiperidine
CID 175874764
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-heptylazetidine
CID 134402356
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
1-decylpiperidine;methanesulfonic acid
CID 175874627

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-dodecylpyrrolidine?
The IUPAC name of acetic acid;1-dodecylpyrrolidine (CID 175583827) is acetic acid;1-dodecylpyrrolidine.
What is the SMILES notation for acetic acid;1-dodecylpyrrolidine?
The canonical SMILES for acetic acid;1-dodecylpyrrolidine is CC(=O)O.CCCCCCCCCCCCN1CCCC1.
What is the InChIKey of acetic acid;1-dodecylpyrrolidine?
The InChIKey is ONYQKUSEEZHQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-17;1-2(3)4/h2-16H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-dodecylpyrrolidine?
acetic acid;1-dodecylpyrrolidine has a molecular weight of 299.50 g/mol, XLogP of 5.09, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-dodecylpyrrolidine is sourced from PubChem (CID 175583827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).