2-methylpropyl 5-ethoxypentanoate

C11H22O3 — CID 134561758

IUPAC2-methylpropyl 5-ethoxypentanoate
SMILESCCOCCCCC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-4-13-8-6-5-7-11(12)14-9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyBDJUBDTTWZOYMQ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds8

About 2-methylpropyl 5-ethoxypentanoate

2-methylpropyl 5-ethoxypentanoate (PubChem CID 134561758) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methylpropyl 5-ethoxypentanoate.

Molecular Properties

Compound Name2-methylpropyl 5-ethoxypentanoate
PubChem CID134561758
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methylpropyl 5-ethoxypentanoate
SMILESCCOCCCCC(=O)OCC(C)C
InChIInChI=1S/C11H22O3/c1-4-13-8-6-5-7-11(12)14-9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyBDJUBDTTWZOYMQ-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
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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Related Compounds

2-methylpropyl 5-methoxypentanoate
CID 134561762
2-methylpropyl 4-(2-octoxyethoxy)butanoate
CID 121470140
2-methylpropyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470454
1-O-decyl 7-O-(2-methylpropyl) heptanedioate
CID 91718362
2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 121469854
bis(3-ethoxypropyl) butanedioate
CID 101278689
octyl 18-ethoxyoctadecanoate
CID 88843598
octyl 6-ethoxyhexanoate
CID 134561594
octyl 5-ethoxypentanoate
CID 134561600
1-O-(8-chlorooctyl) 10-O-(2-methylpropyl) decanedioate
CID 91729136
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
4-O-(2-methylpropyl) 1-O-octyl butanedioate
CID 91701618

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-ethoxypentanoate?
The IUPAC name of 2-methylpropyl 5-ethoxypentanoate (CID 134561758) is 2-methylpropyl 5-ethoxypentanoate.
What is the SMILES notation for 2-methylpropyl 5-ethoxypentanoate?
The canonical SMILES for 2-methylpropyl 5-ethoxypentanoate is CCOCCCCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 5-ethoxypentanoate?
The InChIKey is BDJUBDTTWZOYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-13-8-6-5-7-11(12)14-9-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 2-methylpropyl 5-ethoxypentanoate?
2-methylpropyl 5-ethoxypentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-ethoxypentanoate is sourced from PubChem (CID 134561758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).