(2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate

C14H26O4 — CID 139749090

IUPAC(2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate
SMILESCCC(=O)OCC(C)CC(C)COC(=O)C(C)C
InChIInChI=1S/C14H26O4/c1-6-13(15)17-8-11(4)7-12(5)9-18-14(16)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyCAPNGUAGPCSXQS-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.80
Rot. Bonds8

About (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate

(2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate (PubChem CID 139749090) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate.

Molecular Properties

Compound Name(2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate
PubChem CID139749090
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate
SMILESCCC(=O)OCC(C)CC(C)COC(=O)C(C)C
InChIInChI=1S/C14H26O4/c1-6-13(15)17-8-11(4)7-12(5)9-18-14(16)10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyCAPNGUAGPCSXQS-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-di(propanoyloxy)propyl 2-methylpropanoate
CID 121433991
2-methylhexyl propanoate
CID 14933483
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
(2-methyl-3-oxobutyl) propanoate
CID 87670763
(3-hydroxy-2-methylbutyl) propanoate
CID 54448518
2-methylhex-5-enyl propanoate
CID 139914758
2-ethylbutyl 2-methylpropanoate
CID 551315
[2-ethyl-4-(2-methylpropanoyloxymethyl)hexyl] butanoate
CID 139749107
(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
CID 91017157
2-aminobutyl 2-methylpropanoate
CID 123412425
(2-hydroxy-2-sulfanylethyl) propanoate
CID 87972753

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate?
The IUPAC name of (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate (CID 139749090) is (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate.
What is the SMILES notation for (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate?
The canonical SMILES for (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate is CCC(=O)OCC(C)CC(C)COC(=O)C(C)C.
What is the InChIKey of (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate?
The InChIKey is CAPNGUAGPCSXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-6-13(15)17-8-11(4)7-12(5)9-18-14(16)10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate?
(2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate has a molecular weight of 258.36 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-5-propanoyloxypentyl) 2-methylpropanoate is sourced from PubChem (CID 139749090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).