tert-butyl 3-methoxycarbonyloxypent-4-enoate

C11H18O5 — CID 10944257

IUPACtert-butyl 3-methoxycarbonyloxypent-4-enoate
SMILESC=CC(CC(=O)OC(C)(C)C)OC(=O)OC
InChIInChI=1S/C11H18O5/c1-6-8(15-10(13)14-5)7-9(12)16-11(2,3)4/h6,8H,1,7H2,2-5H3
InChIKeyVJEMEKHWXNYIIN-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.06
Rot. Bonds4

About tert-butyl 3-methoxycarbonyloxypent-4-enoate

tert-butyl 3-methoxycarbonyloxypent-4-enoate (PubChem CID 10944257) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl 3-methoxycarbonyloxypent-4-enoate.

Molecular Properties

Compound Nametert-butyl 3-methoxycarbonyloxypent-4-enoate
PubChem CID10944257
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nametert-butyl 3-methoxycarbonyloxypent-4-enoate
SMILESC=CC(CC(=O)OC(C)(C)C)OC(=O)OC
InChIInChI=1S/C11H18O5/c1-6-8(15-10(13)14-5)7-9(12)16-11(2,3)4/h6,8H,1,7H2,2-5H3
InChIKeyVJEMEKHWXNYIIN-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxycarbonyloxypent-4-enoate?
The IUPAC name of tert-butyl 3-methoxycarbonyloxypent-4-enoate (CID 10944257) is tert-butyl 3-methoxycarbonyloxypent-4-enoate.
What is the SMILES notation for tert-butyl 3-methoxycarbonyloxypent-4-enoate?
The canonical SMILES for tert-butyl 3-methoxycarbonyloxypent-4-enoate is C=CC(CC(=O)OC(C)(C)C)OC(=O)OC.
What is the InChIKey of tert-butyl 3-methoxycarbonyloxypent-4-enoate?
The InChIKey is VJEMEKHWXNYIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-6-8(15-10(13)14-5)7-9(12)16-11(2,3)4/h6,8H,1,7H2,2-5H3.
What are the key properties of tert-butyl 3-methoxycarbonyloxypent-4-enoate?
tert-butyl 3-methoxycarbonyloxypent-4-enoate has a molecular weight of 230.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxycarbonyloxypent-4-enoate is sourced from PubChem (CID 10944257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).