1-ethoxydecan-3-yl formate

C13H26O3 — CID 173324667

IUPAC1-ethoxydecan-3-yl formate
SMILESCCCCCCCC(CCOCC)OC=O
InChIInChI=1S/C13H26O3/c1-3-5-6-7-8-9-13(16-12-14)10-11-15-4-2/h12-13H,3-11H2,1-2H3
InChIKeyCGQKKQVTVZHWOS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.32
Rot. Bonds12

About 1-ethoxydecan-3-yl formate

1-ethoxydecan-3-yl formate (PubChem CID 173324667) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethoxydecan-3-yl formate.

Molecular Properties

Compound Name1-ethoxydecan-3-yl formate
PubChem CID173324667
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name1-ethoxydecan-3-yl formate
SMILESCCCCCCCC(CCOCC)OC=O
InChIInChI=1S/C13H26O3/c1-3-5-6-7-8-9-13(16-12-14)10-11-15-4-2/h12-13H,3-11H2,1-2H3
InChIKeyCGQKKQVTVZHWOS-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
[(10S)-tricos-6-yn-10-yl] formate
CID 101000921
[(2S,6R)-2-hydroxyundecan-6-yl] formate
CID 23230297
6-(2-ethoxyethyl)dodecane
CID 130410548
7-(2-ethoxyethyl)tridecane
CID 130410574
[(3R)-1-ethoxy-1-sulfanylidenetetradecan-3-yl] formate
CID 118524265
tetratriaconta-3,6,25,28-tetraen-16-yl formate
CID 91592372
1,4-diethoxydecane
CID 140997951
2-(2-ethoxyethoxy)octanal
CID 22457210
1-hydroxyoctyl formate
CID 54104225
1-aminooctyl formate
CID 174824755

Frequently Asked Questions

What is the IUPAC name of 1-ethoxydecan-3-yl formate?
The IUPAC name of 1-ethoxydecan-3-yl formate (CID 173324667) is 1-ethoxydecan-3-yl formate.
What is the SMILES notation for 1-ethoxydecan-3-yl formate?
The canonical SMILES for 1-ethoxydecan-3-yl formate is CCCCCCCC(CCOCC)OC=O.
What is the InChIKey of 1-ethoxydecan-3-yl formate?
The InChIKey is CGQKKQVTVZHWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-5-6-7-8-9-13(16-12-14)10-11-15-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-ethoxydecan-3-yl formate?
1-ethoxydecan-3-yl formate has a molecular weight of 230.35 g/mol, XLogP of 3.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxydecan-3-yl formate is sourced from PubChem (CID 173324667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).