ethyl 2-methylbutanoate;styrene

C15H22O2 — CID 91021086

IUPACethyl 2-methylbutanoate;styrene
SMILESC=Cc1ccccc1.CCOC(=O)C(C)CC
InChIInChI=1S/C8H8.C7H14O2/c1-2-8-6-4-3-5-7-8;1-4-6(3)7(8)9-5-2/h2-7H,1H2;6H,4-5H2,1-3H3
InChIKeyWOOVSELTKCAZNI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.93
Rot. Bonds4

About ethyl 2-methylbutanoate;styrene

ethyl 2-methylbutanoate;styrene (PubChem CID 91021086) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl 2-methylbutanoate;styrene.

Molecular Properties

Compound Nameethyl 2-methylbutanoate;styrene
PubChem CID91021086
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethyl 2-methylbutanoate;styrene
SMILESC=Cc1ccccc1.CCOC(=O)C(C)CC
InChIInChI=1S/C8H8.C7H14O2/c1-2-8-6-4-3-5-7-8;1-4-6(3)7(8)9-5-2/h2-7H,1H2;6H,4-5H2,1-3H3
InChIKeyWOOVSELTKCAZNI-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-4-oxobut-2-enoic acid;styrene
CID 67582613
ethyl (E)-but-2-enoate;styrene
CID 174773304
benzene;ethyl 2-methylbutanoate;trifluoroborane
CID 144643378
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
4,6-dimethylnona-1,8-dien-5-one;styrene
CID 66739341
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
CID 135022569
butyl prop-2-enoate;styrene
CID 68545727
3-methoxypentanoic acid;styrene
CID 174406567
dibutyl but-2-enedioate;styrene
CID 70528436
bis(butyl prop-2-enoate);styrene
CID 175337841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylbutanoate;styrene?
The IUPAC name of ethyl 2-methylbutanoate;styrene (CID 91021086) is ethyl 2-methylbutanoate;styrene.
What is the SMILES notation for ethyl 2-methylbutanoate;styrene?
The canonical SMILES for ethyl 2-methylbutanoate;styrene is C=Cc1ccccc1.CCOC(=O)C(C)CC.
What is the InChIKey of ethyl 2-methylbutanoate;styrene?
The InChIKey is WOOVSELTKCAZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H14O2/c1-2-8-6-4-3-5-7-8;1-4-6(3)7(8)9-5-2/h2-7H,1H2;6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-methylbutanoate;styrene?
ethyl 2-methylbutanoate;styrene has a molecular weight of 234.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylbutanoate;styrene is sourced from PubChem (CID 91021086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).