2,4-dimethylpentan-3-yl 2-methylpropyl carbonate

C12H24O3 — CID 58096965

IUPAC2,4-dimethylpentan-3-yl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C12H24O3/c1-8(2)7-14-12(13)15-11(9(3)4)10(5)6/h8-11H,7H2,1-6H3
InChIKeyPIWCQTMAQMZADG-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.48
Rot. Bonds5

About 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate

2,4-dimethylpentan-3-yl 2-methylpropyl carbonate (PubChem CID 58096965) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl 2-methylpropyl carbonate
PubChem CID58096965
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2,4-dimethylpentan-3-yl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C12H24O3/c1-8(2)7-14-12(13)15-11(9(3)4)10(5)6/h8-11H,7H2,1-6H3
InChIKeyPIWCQTMAQMZADG-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate?
The IUPAC name of 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate (CID 58096965) is 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate?
The canonical SMILES for 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate is CC(C)COC(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate?
The InChIKey is PIWCQTMAQMZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-8(2)7-14-12(13)15-11(9(3)4)10(5)6/h8-11H,7H2,1-6H3.
What are the key properties of 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate?
2,4-dimethylpentan-3-yl 2-methylpropyl carbonate has a molecular weight of 216.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl 2-methylpropyl carbonate is sourced from PubChem (CID 58096965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).