4-methylpentyl 2-methylpropyl carbonate

C11H22O3 — CID 6420716

IUPAC4-methylpentyl 2-methylpropyl carbonate
SMILESCC(C)CCCOC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)6-5-7-13-11(12)14-8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyZMJSSYOUAJNOPZ-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.23
Rot. Bonds6

About 4-methylpentyl 2-methylpropyl carbonate

4-methylpentyl 2-methylpropyl carbonate (PubChem CID 6420716) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-methylpentyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name4-methylpentyl 2-methylpropyl carbonate
PubChem CID6420716
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-methylpentyl 2-methylpropyl carbonate
SMILESCC(C)CCCOC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)6-5-7-13-11(12)14-8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyZMJSSYOUAJNOPZ-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

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 4-methylpentyl 2-methylpropyl carbonate?
The IUPAC name of 4-methylpentyl 2-methylpropyl carbonate (CID 6420716) is 4-methylpentyl 2-methylpropyl carbonate.
What is the SMILES notation for 4-methylpentyl 2-methylpropyl carbonate?
The canonical SMILES for 4-methylpentyl 2-methylpropyl carbonate is CC(C)CCCOC(=O)OCC(C)C.
What is the InChIKey of 4-methylpentyl 2-methylpropyl carbonate?
The InChIKey is ZMJSSYOUAJNOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)6-5-7-13-11(12)14-8-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-methylpentyl 2-methylpropyl carbonate?
4-methylpentyl 2-methylpropyl carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-methylpropyl carbonate is sourced from PubChem (CID 6420716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).