2,4-diethylheptyl formate

C12H24O2 — CID 54536990

IUPAC2,4-diethylheptyl formate
SMILESCCCC(CC)CC(CC)COC=O
InChIInChI=1S/C12H24O2/c1-4-7-11(5-2)8-12(6-3)9-14-10-13/h10-12H,4-9H2,1-3H3
InChIKeyCYQRLDWTYFVXIN-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.40
Rot. Bonds9

About 2,4-diethylheptyl formate

2,4-diethylheptyl formate (PubChem CID 54536990) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,4-diethylheptyl formate.

Molecular Properties

Compound Name2,4-diethylheptyl formate
PubChem CID54536990
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,4-diethylheptyl formate
SMILESCCCC(CC)CC(CC)COC=O
InChIInChI=1S/C12H24O2/c1-4-7-11(5-2)8-12(6-3)9-14-10-13/h10-12H,4-9H2,1-3H3
InChIKeyCYQRLDWTYFVXIN-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.40
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-ethylpentyl formate
CID 19982810
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
4-ethyl-2-methylheptane;methane
CID 160575103
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
3-ethylhexanal
CID 15829179
3-ethylheptyl formate
CID 174415857
2-iodopropyl formate
CID 87289117
2-propoxybutyl formate
CID 56995849
2-methyldecyl formate
CID 174806813
(E)-4,6-diethylnon-1-en-1-amine
CID 163641387
diethyl 2-(2-ethylpentyl)propanedioate
CID 174912897
bis(2-ethylpentyl) (Z)-but-2-enedioate
CID 171777570

Frequently Asked Questions

What is the IUPAC name of 2,4-diethylheptyl formate?
The IUPAC name of 2,4-diethylheptyl formate (CID 54536990) is 2,4-diethylheptyl formate.
What is the SMILES notation for 2,4-diethylheptyl formate?
The canonical SMILES for 2,4-diethylheptyl formate is CCCC(CC)CC(CC)COC=O.
What is the InChIKey of 2,4-diethylheptyl formate?
The InChIKey is CYQRLDWTYFVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-11(5-2)8-12(6-3)9-14-10-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 2,4-diethylheptyl formate?
2,4-diethylheptyl formate has a molecular weight of 200.32 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethylheptyl formate is sourced from PubChem (CID 54536990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).