tert-butyl (E)-3-cyclopropylprop-2-enoate

C10H16O2 — CID 11286688

IUPACtert-butyl (E)-3-cyclopropylprop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/C1CC1
InChIInChI=1S/C10H16O2/c1-10(2,3)12-9(11)7-6-8-4-5-8/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyCHARVJRVUVPIPW-VOTSOKGWSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl (E)-3-cyclopropylprop-2-enoate

tert-butyl (E)-3-cyclopropylprop-2-enoate (PubChem CID 11286688) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is tert-butyl (E)-3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-cyclopropylprop-2-enoate
PubChem CID11286688
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nametert-butyl (E)-3-cyclopropylprop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/C1CC1
InChIInChI=1S/C10H16O2/c1-10(2,3)12-9(11)7-6-8-4-5-8/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyCHARVJRVUVPIPW-VOTSOKGWSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-cyclopropylprop-2-enoate?
The IUPAC name of tert-butyl (E)-3-cyclopropylprop-2-enoate (CID 11286688) is tert-butyl (E)-3-cyclopropylprop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-cyclopropylprop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-cyclopropylprop-2-enoate is CC(C)(C)OC(=O)/C=C/C1CC1.
What is the InChIKey of tert-butyl (E)-3-cyclopropylprop-2-enoate?
The InChIKey is CHARVJRVUVPIPW-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2,3)12-9(11)7-6-8-4-5-8/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of tert-butyl (E)-3-cyclopropylprop-2-enoate?
tert-butyl (E)-3-cyclopropylprop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-cyclopropylprop-2-enoate is sourced from PubChem (CID 11286688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).