3-butoxybutyl ethyl carbonate

C11H22O4 — CID 87247604

IUPAC3-butoxybutyl ethyl carbonate
SMILESCCCCOC(C)CCOC(=O)OCC
InChIInChI=1S/C11H22O4/c1-4-6-8-14-10(3)7-9-15-11(12)13-5-2/h10H,4-9H2,1-3H3
InChIKeyQSFUIOODEQPBPR-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.75
Rot. Bonds8

About 3-butoxybutyl ethyl carbonate

3-butoxybutyl ethyl carbonate (PubChem CID 87247604) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-butoxybutyl ethyl carbonate.

Molecular Properties

Compound Name3-butoxybutyl ethyl carbonate
PubChem CID87247604
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-butoxybutyl ethyl carbonate
SMILESCCCCOC(C)CCOC(=O)OCC
InChIInChI=1S/C11H22O4/c1-4-6-8-14-10(3)7-9-15-11(12)13-5-2/h10H,4-9H2,1-3H3
InChIKeyQSFUIOODEQPBPR-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.75
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

butyl 3-methoxybutyl carbonate
CID 87247600
3-(2-butoxyethoxy)butyl hydrogen carbonate
CID 139923297
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524
2-butoxyhexane;ethane
CID 144590910
ethyl 2-nonoxypropanoate
CID 88680880
butyl 3-ethoxybutan-2-yl carbonate
CID 87247453
3-butoxy-1-propoxybutane
CID 57175368
ethyl 2-amino-4-butoxy-2-methylpentanoate
CID 64708941
magnesium;dibutyl carbonate;hydride
CID 174500135
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576

Frequently Asked Questions

What is the IUPAC name of 3-butoxybutyl ethyl carbonate?
The IUPAC name of 3-butoxybutyl ethyl carbonate (CID 87247604) is 3-butoxybutyl ethyl carbonate.
What is the SMILES notation for 3-butoxybutyl ethyl carbonate?
The canonical SMILES for 3-butoxybutyl ethyl carbonate is CCCCOC(C)CCOC(=O)OCC.
What is the InChIKey of 3-butoxybutyl ethyl carbonate?
The InChIKey is QSFUIOODEQPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-6-8-14-10(3)7-9-15-11(12)13-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 3-butoxybutyl ethyl carbonate?
3-butoxybutyl ethyl carbonate has a molecular weight of 218.29 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxybutyl ethyl carbonate is sourced from PubChem (CID 87247604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).