butyl 2-(2-methoxybutoxy)ethyl carbonate

C12H24O5 — CID 87248025

IUPACbutyl 2-(2-methoxybutoxy)ethyl carbonate
SMILESCCCCOC(=O)OCCOCC(CC)OC
InChIInChI=1S/C12H24O5/c1-4-6-7-16-12(13)17-9-8-15-10-11(5-2)14-3/h11H,4-10H2,1-3H3
InChIKeyKAXINJPTUBNITI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.38
Rot. Bonds10

About butyl 2-(2-methoxybutoxy)ethyl carbonate

butyl 2-(2-methoxybutoxy)ethyl carbonate (PubChem CID 87248025) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is butyl 2-(2-methoxybutoxy)ethyl carbonate.

Molecular Properties

Compound Namebutyl 2-(2-methoxybutoxy)ethyl carbonate
PubChem CID87248025
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Namebutyl 2-(2-methoxybutoxy)ethyl carbonate
SMILESCCCCOC(=O)OCCOCC(CC)OC
InChIInChI=1S/C12H24O5/c1-4-6-7-16-12(13)17-9-8-15-10-11(5-2)14-3/h11H,4-10H2,1-3H3
InChIKeyKAXINJPTUBNITI-UHFFFAOYSA-N
XLogP2.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxybutoxy)ethyl methyl carbonate
CID 87247552
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774
2-(2-ethoxybutoxy)ethyl methyl carbonate
CID 87247647
butyl pentan-3-yl carbonate
CID 155213116
2-(2-methoxybutoxy)ethyl 2,2-dimethylbutanoate
CID 177277329
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
butyl 2-methoxypropyl carbonate
CID 87247456
butyl 3-methoxybutyl carbonate
CID 87247600
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
3-butoxypropyl butyl carbonate
CID 87247588
butyl pentyl carbonate
CID 545576
magnesium;dibutyl carbonate;hydride
CID 174500135

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-methoxybutoxy)ethyl carbonate?
The IUPAC name of butyl 2-(2-methoxybutoxy)ethyl carbonate (CID 87248025) is butyl 2-(2-methoxybutoxy)ethyl carbonate.
What is the SMILES notation for butyl 2-(2-methoxybutoxy)ethyl carbonate?
The canonical SMILES for butyl 2-(2-methoxybutoxy)ethyl carbonate is CCCCOC(=O)OCCOCC(CC)OC.
What is the InChIKey of butyl 2-(2-methoxybutoxy)ethyl carbonate?
The InChIKey is KAXINJPTUBNITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-4-6-7-16-12(13)17-9-8-15-10-11(5-2)14-3/h11H,4-10H2,1-3H3.
What are the key properties of butyl 2-(2-methoxybutoxy)ethyl carbonate?
butyl 2-(2-methoxybutoxy)ethyl carbonate has a molecular weight of 248.32 g/mol, XLogP of 2.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-methoxybutoxy)ethyl carbonate is sourced from PubChem (CID 87248025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).