2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate

C13H26O3 — CID 126765585

IUPAC2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(C(=O)OCCO)C(C)(C)C
InChIInChI=1S/C13H26O3/c1-7-10(2)13(6,12(3,4)5)11(15)16-9-8-14/h10,14H,7-9H2,1-6H3
InChIKeyQAADBEVRBQKKGK-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.62
Rot. Bonds5

About 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate

2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate (PubChem CID 126765585) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate
PubChem CID126765585
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(C(=O)OCCO)C(C)(C)C
InChIInChI=1S/C13H26O3/c1-7-10(2)13(6,12(3,4)5)11(15)16-9-8-14/h10,14H,7-9H2,1-6H3
InChIKeyQAADBEVRBQKKGK-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(2-tert-butyl-2,3-dimethylpentanoyl)oxyethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 71063228
6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid
CID 88734161
2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid
CID 103377553
2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate
CID 173486801
2-hydroxyethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 87664752
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
2-hydroxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 87664251
1-O-(2-hydroxyethyl) 3-O-octadecyl 2,2-dimethylpropanedioate
CID 153438657
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
2-hydroxyethyl 2,2-di(heptan-2-yl)undecanoate
CID 21275971
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
3-O-butyl 1-O,5-O-bis(2-hydroxyethyl) 1,3-dimethylheptane-1,3,5-tricarboxylate
CID 59383607

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate?
The IUPAC name of 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate (CID 126765585) is 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate.
What is the SMILES notation for 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate?
The canonical SMILES for 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate is CCC(C)C(C)(C(=O)OCCO)C(C)(C)C.
What is the InChIKey of 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate?
The InChIKey is QAADBEVRBQKKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-7-10(2)13(6,12(3,4)5)11(15)16-9-8-14/h10,14H,7-9H2,1-6H3.
What are the key properties of 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate?
2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate has a molecular weight of 230.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate is sourced from PubChem (CID 126765585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).