tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate

C15H26O4 — CID 23584753

IUPACtert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate
SMILESC=CCCC1(C(CC)C(=O)OC(C)(C)C)OCCO1
InChIInChI=1S/C15H26O4/c1-6-8-9-15(17-10-11-18-15)12(7-2)13(16)19-14(3,4)5/h6,12H,1,7-11H2,2-5H3
InChIKeyLTFDONIQYUKYAR-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.06
Rot. Bonds6

About tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate

tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate (PubChem CID 23584753) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate
PubChem CID23584753
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nametert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate
SMILESC=CCCC1(C(CC)C(=O)OC(C)(C)C)OCCO1
InChIInChI=1S/C15H26O4/c1-6-8-9-15(17-10-11-18-15)12(7-2)13(16)19-14(3,4)5/h6,12H,1,7-11H2,2-5H3
InChIKeyLTFDONIQYUKYAR-UHFFFAOYSA-N
XLogP3.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (9R)-9-[(2R)-but-3-en-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxylate
CID 371781
methyl (4S,5R)-4-allyl-5-((S)-sec-butyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11010584
Ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 11789092
Ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
CID 14545747
Methyl 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 85667171
Methyl 4-(1-methylallyl)-6,9-dioxaspiro[4.4]nonane-4-carboxylate
CID 495237
Ethyl 2-but-3-enyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 23254622
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 13899462
Tert-butyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 45258311
Methyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-methylidenehexanoate
CID 70554501
2-[(2-Methylpropan-2-yl)oxycarbonyl]pent-4-enyl cyclopentanecarboxylate
CID 142105886
methyl (2R)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate
CID 147705964

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate?
The IUPAC name of tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate (CID 23584753) is tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate.
What is the SMILES notation for tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate?
The canonical SMILES for tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate is C=CCCC1(C(CC)C(=O)OC(C)(C)C)OCCO1.
What is the InChIKey of tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate?
The InChIKey is LTFDONIQYUKYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-6-8-9-15(17-10-11-18-15)12(7-2)13(16)19-14(3,4)5/h6,12H,1,7-11H2,2-5H3.
What are the key properties of tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate?
tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate has a molecular weight of 270.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate is sourced from PubChem (CID 23584753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).