tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate

C15H24O3 — CID 134890198

IUPACtert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate
SMILESC=C1OC(C(C)CC)=C(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C15H24O3/c1-8-9(2)13-12(10(3)11(4)17-13)14(16)18-15(5,6)7/h9-10H,4,8H2,1-3,5-7H3
InChIKeyAWCSJDMFXJSFPK-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate

tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate (PubChem CID 134890198) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate
PubChem CID134890198
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nametert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate
SMILESC=C1OC(C(C)CC)=C(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C15H24O3/c1-8-9(2)13-12(10(3)11(4)17-13)14(16)18-15(5,6)7/h9-10H,4,8H2,1-3,5-7H3
InChIKeyAWCSJDMFXJSFPK-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate?
The IUPAC name of tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate (CID 134890198) is tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate.
What is the SMILES notation for tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate?
The canonical SMILES for tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate is C=C1OC(C(C)CC)=C(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate?
The InChIKey is AWCSJDMFXJSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-8-9(2)13-12(10(3)11(4)17-13)14(16)18-15(5,6)7/h9-10H,4,8H2,1-3,5-7H3.
What are the key properties of tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate?
tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-butan-2-yl-3-methyl-2-methylidene-3H-furan-4-carboxylate is sourced from PubChem (CID 134890198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).