butan-2-ol;ethyl 2-methylprop-2-enoate

C10H20O3 — CID 91162607

IUPACbutan-2-ol;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCC(C)O
InChIInChI=1S/C6H10O2.C4H10O/c1-4-8-6(7)5(2)3;1-3-4(2)5/h2,4H2,1,3H3;4-5H,3H2,1-2H3
InChIKeyQXDJYGUFXCUUHF-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.90
Rot. Bonds3

About butan-2-ol;ethyl 2-methylprop-2-enoate

butan-2-ol;ethyl 2-methylprop-2-enoate (PubChem CID 91162607) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is butan-2-ol;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutan-2-ol;ethyl 2-methylprop-2-enoate
PubChem CID91162607
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namebutan-2-ol;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCC(C)O
InChIInChI=1S/C6H10O2.C4H10O/c1-4-8-6(7)5(2)3;1-3-4(2)5/h2,4H2,1,3H3;4-5H,3H2,1-2H3
InChIKeyQXDJYGUFXCUUHF-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
bis(butan-2-ol);ethyl acetate
CID 139558654
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate
CID 175781994
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
acetic acid;butan-2-ol;ethyl acetate
CID 174593363

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;ethyl 2-methylprop-2-enoate?
The IUPAC name of butan-2-ol;ethyl 2-methylprop-2-enoate (CID 91162607) is butan-2-ol;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for butan-2-ol;ethyl 2-methylprop-2-enoate?
The canonical SMILES for butan-2-ol;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.CCC(C)O.
What is the InChIKey of butan-2-ol;ethyl 2-methylprop-2-enoate?
The InChIKey is QXDJYGUFXCUUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H10O/c1-4-8-6(7)5(2)3;1-3-4(2)5/h2,4H2,1,3H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;ethyl 2-methylprop-2-enoate?
butan-2-ol;ethyl 2-methylprop-2-enoate has a molecular weight of 188.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 91162607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).