5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate

C13H24O8 — CID 91693764

IUPAC5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OCCCCCOC(=O)OCCOC
InChIInChI=1S/C13H24O8/c1-16-8-10-20-12(14)18-6-4-3-5-7-19-13(15)21-11-9-17-2/h3-11H2,1-2H3
InChIKeyOBAAJQGTEZPQKS-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.76
Rot. Bonds12

About 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate

5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate (PubChem CID 91693764) has the molecular formula C13H24O8 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate.

Molecular Properties

Compound Name5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
PubChem CID91693764
Molecular FormulaC13H24O8
Molecular Weight308.33 g/mol
Exact Mass308.15
IUPAC Name5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OCCCCCOC(=O)OCCOC
InChIInChI=1S/C13H24O8/c1-16-8-10-20-12(14)18-6-4-3-5-7-19-13(15)21-11-9-17-2/h3-11H2,1-2H3
InChIKeyOBAAJQGTEZPQKS-UHFFFAOYSA-N
XLogP1.76
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
butyl 3-methoxypropyl carbonate
CID 87247582
azane;dioctyl carbonate
CID 174626203

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate?
The IUPAC name of 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate (CID 91693764) is 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate.
What is the SMILES notation for 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate?
The canonical SMILES for 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate is COCCOC(=O)OCCCCCOC(=O)OCCOC.
What is the InChIKey of 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate?
The InChIKey is OBAAJQGTEZPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O8/c1-16-8-10-20-12(14)18-6-4-3-5-7-19-13(15)21-11-9-17-2/h3-11H2,1-2H3.
What are the key properties of 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate?
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate has a molecular weight of 308.33 g/mol, XLogP of 1.76, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate is sourced from PubChem (CID 91693764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).