propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate

C15H28O4 — CID 14214409

IUPACpropan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate
SMILESCCC(CCCOC1CCCCO1)C(=O)OC(C)C
InChIInChI=1S/C15H28O4/c1-4-13(15(16)19-12(2)3)8-7-11-18-14-9-5-6-10-17-14/h12-14H,4-11H2,1-3H3
InChIKeyHKTHFVWCLPXJRO-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.29
Rot. Bonds8

About propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate

propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate (PubChem CID 14214409) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate
PubChem CID14214409
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namepropan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate
SMILESCCC(CCCOC1CCCCO1)C(=O)OC(C)C
InChIInChI=1S/C15H28O4/c1-4-13(15(16)19-12(2)3)8-7-11-18-14-9-5-6-10-17-14/h12-14H,4-11H2,1-3H3
InChIKeyHKTHFVWCLPXJRO-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-acetyl-5,5-diethoxypentanoate
CID 250829
Methyl 3,5-dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)-hexanoate
CID 129866516
[(3S,4R,5R,6S)-2-acetyloxy-3-fluoro-5,6-dimethyloxan-4-yl] acetate
CID 70451077
cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
CID 21631979
dimethyl 2-[(1R)-2-methyl-1-[(2R,6S)-6-methyloxan-2-yl]oxypropyl]propanedioate
CID 11472157
Propan-2-yl 5-(oxan-2-yloxy)pentanoate
CID 14214408
(2S,3R,4R)-2,4-dimethyl-3-(oxan-2-yloxy)hexanoic acid
CID 162397394
[(2R,4S,5R)-2-acetyloxy-3-fluoro-5,6-dimethyloxan-4-yl] acetate
CID 163826347
(6-Oxo-3-pentyloxan-2-yl) acetate
CID 277318
Methyl 2-ethyl-5,5-dimethoxypentanoate
CID 11030935
2H-Pyran-2,4(3H)-dione, 3-acetyl-6-ethoxydihydro-
CID 91691394
Ethyl 4-(1,3-dioxolan-2-yl)-2-ethylbutanoate
CID 121221361

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate?
The IUPAC name of propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate (CID 14214409) is propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate.
What is the SMILES notation for propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate?
The canonical SMILES for propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate is CCC(CCCOC1CCCCO1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate?
The InChIKey is HKTHFVWCLPXJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-13(15(16)19-12(2)3)8-7-11-18-14-9-5-6-10-17-14/h12-14H,4-11H2,1-3H3.
What are the key properties of propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate?
propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate has a molecular weight of 272.38 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate is sourced from PubChem (CID 14214409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).