propan-2-yl 2-ethyl-2,3-dimethylbutanoate

C11H22O2 — CID 87568455

IUPACpropan-2-yl 2-ethyl-2,3-dimethylbutanoate
SMILESCCC(C)(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C11H22O2/c1-7-11(6,8(2)3)10(12)13-9(4)5/h8-9H,7H2,1-6H3
InChIKeyGKUQKBYXRXRFPP-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.01
Rot. Bonds4

About propan-2-yl 2-ethyl-2,3-dimethylbutanoate

propan-2-yl 2-ethyl-2,3-dimethylbutanoate (PubChem CID 87568455) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-2,3-dimethylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-2,3-dimethylbutanoate
PubChem CID87568455
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namepropan-2-yl 2-ethyl-2,3-dimethylbutanoate
SMILESCCC(C)(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C11H22O2/c1-7-11(6,8(2)3)10(12)13-9(4)5/h8-9H,7H2,1-6H3
InChIKeyGKUQKBYXRXRFPP-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
propan-2-yl 2,2-dichloro-3-methylbutanoate
CID 57232967
propan-2-yl 2-methyl-2-propylpentanoate
CID 118411405
propan-2-yl 2-amino-2,3-dimethylbutanoate
CID 18780772
1-propan-2-yloxyethyl 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123702828
propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate
CID 118087278
decapropan-2-yl 1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylate
CID 130232997
propan-2-yl (2R)-2-cyanato-2-methylbutanoate
CID 118967910
propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate
CID 173451742
3-ethylpentan-3-yl propan-2-yl carbonate
CID 173147258
1,1,1,3,3,3-hexafluoropropan-2-yl 2-methyl-2-propan-2-ylpentanoate
CID 87171126
propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 139783243

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethyl-2,3-dimethylbutanoate?
The IUPAC name of propan-2-yl 2-ethyl-2,3-dimethylbutanoate (CID 87568455) is propan-2-yl 2-ethyl-2,3-dimethylbutanoate.
What is the SMILES notation for propan-2-yl 2-ethyl-2,3-dimethylbutanoate?
The canonical SMILES for propan-2-yl 2-ethyl-2,3-dimethylbutanoate is CCC(C)(C(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl 2-ethyl-2,3-dimethylbutanoate?
The InChIKey is GKUQKBYXRXRFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7-11(6,8(2)3)10(12)13-9(4)5/h8-9H,7H2,1-6H3.
What are the key properties of propan-2-yl 2-ethyl-2,3-dimethylbutanoate?
propan-2-yl 2-ethyl-2,3-dimethylbutanoate has a molecular weight of 186.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethyl-2,3-dimethylbutanoate is sourced from PubChem (CID 87568455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).