4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate

C15H30O6 — CID 87247774

IUPAC4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)OCCCCOCC(CC)OCC
InChIInChI=1S/C15H30O6/c1-4-14(19-6-3)13-18-9-7-8-10-20-15(16)21-12-11-17-5-2/h14H,4-13H2,1-3H3
InChIKeyPONUEGRMXIQHGV-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.79
Rot. Bonds14

About 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate

4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate (PubChem CID 87247774) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate.

Molecular Properties

Compound Name4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
PubChem CID87247774
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
SMILESCCOCCOC(=O)OCCCCOCC(CC)OCC
InChIInChI=1S/C15H30O6/c1-4-14(19-6-3)13-18-9-7-8-10-20-15(16)21-12-11-17-5-2/h14H,4-13H2,1-3H3
InChIKeyPONUEGRMXIQHGV-UHFFFAOYSA-N
XLogP2.79
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647
butyl 2-(2-methoxybutoxy)ethyl carbonate
CID 87248025
4-(2-ethoxybutoxy)butyl 2-cyanoprop-2-enoate
CID 54200987
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-ethoxybutyl ethyl carbonate
CID 87247683
2-(2-methoxybutoxy)ethyl methyl carbonate
CID 87247552
bis[2-(2-ethoxyethoxy)octyl] carbonate
CID 87841193
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
4-butoxy-3-ethoxybutanoic acid
CID 88787167
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate?
The IUPAC name of 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate (CID 87247774) is 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate.
What is the SMILES notation for 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate?
The canonical SMILES for 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate is CCOCCOC(=O)OCCCCOCC(CC)OCC.
What is the InChIKey of 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate?
The InChIKey is PONUEGRMXIQHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-4-14(19-6-3)13-18-9-7-8-10-20-15(16)21-12-11-17-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate?
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate has a molecular weight of 306.40 g/mol, XLogP of 2.79, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate is sourced from PubChem (CID 87247774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).