ethane;ethyl 2-methylbutanoate

C9H20O2 — CID 144747106

IUPACethane;ethyl 2-methylbutanoate
SMILESCC.CCOC(=O)C(C)CC
InChIInChI=1S/C7H14O2.C2H6/c1-4-6(3)7(8)9-5-2;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyNSZPHDWDBKKOAD-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.62
Rot. Bonds3

About ethane;ethyl 2-methylbutanoate

ethane;ethyl 2-methylbutanoate (PubChem CID 144747106) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is ethane;ethyl 2-methylbutanoate.

Molecular Properties

Compound Nameethane;ethyl 2-methylbutanoate
PubChem CID144747106
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Nameethane;ethyl 2-methylbutanoate
SMILESCC.CCOC(=O)C(C)CC
InChIInChI=1S/C7H14O2.C2H6/c1-4-6(3)7(8)9-5-2;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyNSZPHDWDBKKOAD-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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propyl (2R)-2-methylbutanoate
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ethane;4-ethoxy-3-methyl-4-oxobutanoic acid
CID 122506118
diethyl 2-(2-methylbutanoyl)propanedioate
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ethyl heptanoate;ethyl 2-methylbutanoate
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CID 89060665
CID 89060665

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-methylbutanoate?
The IUPAC name of ethane;ethyl 2-methylbutanoate (CID 144747106) is ethane;ethyl 2-methylbutanoate.
What is the SMILES notation for ethane;ethyl 2-methylbutanoate?
The canonical SMILES for ethane;ethyl 2-methylbutanoate is CC.CCOC(=O)C(C)CC.
What is the InChIKey of ethane;ethyl 2-methylbutanoate?
The InChIKey is NSZPHDWDBKKOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C2H6/c1-4-6(3)7(8)9-5-2;1-2/h6H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 2-methylbutanoate?
ethane;ethyl 2-methylbutanoate has a molecular weight of 160.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-methylbutanoate is sourced from PubChem (CID 144747106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).