2-ethylhexyl 2-methoxyethyl carbonate

C12H24O4 — CID 91693768

IUPAC2-ethylhexyl 2-methoxyethyl carbonate
SMILESCCCCC(CC)COC(=O)OCCOC
InChIInChI=1S/C12H24O4/c1-4-6-7-11(5-2)10-16-12(13)15-9-8-14-3/h11H,4-10H2,1-3H3
InChIKeyRIGSYMLFBGNOPA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.00
Rot. Bonds9

About 2-ethylhexyl 2-methoxyethyl carbonate

2-ethylhexyl 2-methoxyethyl carbonate (PubChem CID 91693768) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-ethylhexyl 2-methoxyethyl carbonate.

Molecular Properties

Compound Name2-ethylhexyl 2-methoxyethyl carbonate
PubChem CID91693768
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-ethylhexyl 2-methoxyethyl carbonate
SMILESCCCCC(CC)COC(=O)OCCOC
InChIInChI=1S/C12H24O4/c1-4-6-7-11(5-2)10-16-12(13)15-9-8-14-3/h11H,4-10H2,1-3H3
InChIKeyRIGSYMLFBGNOPA-UHFFFAOYSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-methoxyethyl carbonate?
The IUPAC name of 2-ethylhexyl 2-methoxyethyl carbonate (CID 91693768) is 2-ethylhexyl 2-methoxyethyl carbonate.
What is the SMILES notation for 2-ethylhexyl 2-methoxyethyl carbonate?
The canonical SMILES for 2-ethylhexyl 2-methoxyethyl carbonate is CCCCC(CC)COC(=O)OCCOC.
What is the InChIKey of 2-ethylhexyl 2-methoxyethyl carbonate?
The InChIKey is RIGSYMLFBGNOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-6-7-11(5-2)10-16-12(13)15-9-8-14-3/h11H,4-10H2,1-3H3.
What are the key properties of 2-ethylhexyl 2-methoxyethyl carbonate?
2-ethylhexyl 2-methoxyethyl carbonate has a molecular weight of 232.32 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-methoxyethyl carbonate is sourced from PubChem (CID 91693768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).