(4-methoxy-2-methylpentyl) propanoate

C10H20O3 — CID 174788050

IUPAC(4-methoxy-2-methylpentyl) propanoate
SMILESCCC(=O)OCC(C)CC(C)OC
InChIInChI=1S/C10H20O3/c1-5-10(11)13-7-8(2)6-9(3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyXBXARSFLPZNWOQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds6

About (4-methoxy-2-methylpentyl) propanoate

(4-methoxy-2-methylpentyl) propanoate (PubChem CID 174788050) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4-methoxy-2-methylpentyl) propanoate.

Molecular Properties

Compound Name(4-methoxy-2-methylpentyl) propanoate
PubChem CID174788050
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(4-methoxy-2-methylpentyl) propanoate
SMILESCCC(=O)OCC(C)CC(C)OC
InChIInChI=1S/C10H20O3/c1-5-10(11)13-7-8(2)6-9(3)12-4/h8-9H,5-7H2,1-4H3
InChIKeyXBXARSFLPZNWOQ-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylpentyl) propanoate?
The IUPAC name of (4-methoxy-2-methylpentyl) propanoate (CID 174788050) is (4-methoxy-2-methylpentyl) propanoate.
What is the SMILES notation for (4-methoxy-2-methylpentyl) propanoate?
The canonical SMILES for (4-methoxy-2-methylpentyl) propanoate is CCC(=O)OCC(C)CC(C)OC.
What is the InChIKey of (4-methoxy-2-methylpentyl) propanoate?
The InChIKey is XBXARSFLPZNWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-10(11)13-7-8(2)6-9(3)12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of (4-methoxy-2-methylpentyl) propanoate?
(4-methoxy-2-methylpentyl) propanoate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylpentyl) propanoate is sourced from PubChem (CID 174788050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).