decyl pyrrolidin-1-yl carbonate

C15H29NO3 — CID 67660179

IUPACdecyl pyrrolidin-1-yl carbonate
SMILESCCCCCCCCCCOC(=O)ON1CCCC1
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-11-14-18-15(17)19-16-12-9-10-13-16/h2-14H2,1H3
InChIKeyDAYVVQOGIQLPJB-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.29
Rot. Bonds10

About decyl pyrrolidin-1-yl carbonate

decyl pyrrolidin-1-yl carbonate (PubChem CID 67660179) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is decyl pyrrolidin-1-yl carbonate.

Molecular Properties

Compound Namedecyl pyrrolidin-1-yl carbonate
PubChem CID67660179
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namedecyl pyrrolidin-1-yl carbonate
SMILESCCCCCCCCCCOC(=O)ON1CCCC1
InChIInChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-11-14-18-15(17)19-16-12-9-10-13-16/h2-14H2,1H3
InChIKeyDAYVVQOGIQLPJB-UHFFFAOYSA-N
XLogP4.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.29
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

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
piperidin-1-yl dodecanoate
CID 56997420
hexoxycarbonyl hexyl carbonate
CID 18974231
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
ethyl heptadecyl carbonate
CID 6421524
chloro hexyl carbonate
CID 90046740
ethyl tetradecyl carbonate
CID 6421505

Frequently Asked Questions

What is the IUPAC name of decyl pyrrolidin-1-yl carbonate?
The IUPAC name of decyl pyrrolidin-1-yl carbonate (CID 67660179) is decyl pyrrolidin-1-yl carbonate.
What is the SMILES notation for decyl pyrrolidin-1-yl carbonate?
The canonical SMILES for decyl pyrrolidin-1-yl carbonate is CCCCCCCCCCOC(=O)ON1CCCC1.
What is the InChIKey of decyl pyrrolidin-1-yl carbonate?
The InChIKey is DAYVVQOGIQLPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-11-14-18-15(17)19-16-12-9-10-13-16/h2-14H2,1H3.
What are the key properties of decyl pyrrolidin-1-yl carbonate?
decyl pyrrolidin-1-yl carbonate has a molecular weight of 271.40 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl pyrrolidin-1-yl carbonate is sourced from PubChem (CID 67660179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).