4-methylpentan-2-yl 2-methylpropyl carbonate

C11H22O3 — CID 91698597

IUPAC4-methylpentan-2-yl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC(C)CC(C)C
InChIInChI=1S/C11H22O3/c1-8(2)6-10(5)14-11(12)13-7-9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyFJWHZVCTDBAACE-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.23
Rot. Bonds5

About 4-methylpentan-2-yl 2-methylpropyl carbonate

4-methylpentan-2-yl 2-methylpropyl carbonate (PubChem CID 91698597) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-methylpropyl carbonate.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-methylpropyl carbonate
PubChem CID91698597
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-methylpentan-2-yl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC(C)CC(C)C
InChIInChI=1S/C11H22O3/c1-8(2)6-10(5)14-11(12)13-7-9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyFJWHZVCTDBAACE-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-methylpropyl carbonate?
The IUPAC name of 4-methylpentan-2-yl 2-methylpropyl carbonate (CID 91698597) is 4-methylpentan-2-yl 2-methylpropyl carbonate.
What is the SMILES notation for 4-methylpentan-2-yl 2-methylpropyl carbonate?
The canonical SMILES for 4-methylpentan-2-yl 2-methylpropyl carbonate is CC(C)COC(=O)OC(C)CC(C)C.
What is the InChIKey of 4-methylpentan-2-yl 2-methylpropyl carbonate?
The InChIKey is FJWHZVCTDBAACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)6-10(5)14-11(12)13-7-9(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-methylpentan-2-yl 2-methylpropyl carbonate?
4-methylpentan-2-yl 2-methylpropyl carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-methylpropyl carbonate is sourced from PubChem (CID 91698597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).