2-ethylhexyl 2-methylpropyl carbonate

C13H26O3 — CID 91693076

IUPAC2-ethylhexyl 2-methylpropyl carbonate
SMILESCCCCC(CC)COC(=O)OCC(C)C
InChIInChI=1S/C13H26O3/c1-5-7-8-12(6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyNPSPGHZMMKOHJM-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.01
Rot. Bonds8

About 2-ethylhexyl 2-methylpropyl carbonate

2-ethylhexyl 2-methylpropyl carbonate (PubChem CID 91693076) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-ethylhexyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name2-ethylhexyl 2-methylpropyl carbonate
PubChem CID91693076
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-ethylhexyl 2-methylpropyl carbonate
SMILESCCCCC(CC)COC(=O)OCC(C)C
InChIInChI=1S/C13H26O3/c1-5-7-8-12(6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyNPSPGHZMMKOHJM-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-methylpropyl carbonate?
The IUPAC name of 2-ethylhexyl 2-methylpropyl carbonate (CID 91693076) is 2-ethylhexyl 2-methylpropyl carbonate.
What is the SMILES notation for 2-ethylhexyl 2-methylpropyl carbonate?
The canonical SMILES for 2-ethylhexyl 2-methylpropyl carbonate is CCCCC(CC)COC(=O)OCC(C)C.
What is the InChIKey of 2-ethylhexyl 2-methylpropyl carbonate?
The InChIKey is NPSPGHZMMKOHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-5-7-8-12(6-2)10-16-13(14)15-9-11(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-ethylhexyl 2-methylpropyl carbonate?
2-ethylhexyl 2-methylpropyl carbonate has a molecular weight of 230.35 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-methylpropyl carbonate is sourced from PubChem (CID 91693076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).