2-ethylpentyl formate

C8H16O2 — CID 19982810

IUPAC2-ethylpentyl formate
SMILESCCCC(CC)COC=O
InChIInChI=1S/C8H16O2/c1-3-5-8(4-2)6-10-7-9/h7-8H,3-6H2,1-2H3
InChIKeyYIRKWHCYYATTBB-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.99
Rot. Bonds6

About 2-ethylpentyl formate

2-ethylpentyl formate (PubChem CID 19982810) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-ethylpentyl formate.

Molecular Properties

Compound Name2-ethylpentyl formate
PubChem CID19982810
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-ethylpentyl formate
SMILESCCCC(CC)COC=O
InChIInChI=1S/C8H16O2/c1-3-5-8(4-2)6-10-7-9/h7-8H,3-6H2,1-2H3
InChIKeyYIRKWHCYYATTBB-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diethylheptyl formate
CID 54536990
bis(2-ethylpentyl) (Z)-but-2-enedioate
CID 171777570
3-ethylhexanal
CID 15829179
3-ethylheptyl formate
CID 174415857
2-ethylpentyl methanesulfonate
CID 87281207
2-iodopropyl formate
CID 87289117
2-methyldecyl formate
CID 174806813
2-propoxybutyl formate
CID 56995849
4-ethylheptane;methane
CID 143165373
3-(prop-1-enoxymethyl)heptane
CID 123335431
acetic acid;3-(ethenoxymethyl)heptane
CID 174888380
CID 174093884
CID 174093884

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentyl formate?
The IUPAC name of 2-ethylpentyl formate (CID 19982810) is 2-ethylpentyl formate.
What is the SMILES notation for 2-ethylpentyl formate?
The canonical SMILES for 2-ethylpentyl formate is CCCC(CC)COC=O.
What is the InChIKey of 2-ethylpentyl formate?
The InChIKey is YIRKWHCYYATTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-8(4-2)6-10-7-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethylpentyl formate?
2-ethylpentyl formate has a molecular weight of 144.21 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentyl formate is sourced from PubChem (CID 19982810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).