2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate

C17H32O5 — CID 173165173

IUPAC2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate
SMILESCCC=C(OCCOCCCC)C(=O)OCCOCCCC
InChIInChI=1S/C17H32O5/c1-4-7-10-19-12-14-21-16(9-6-3)17(18)22-15-13-20-11-8-5-2/h9H,4-8,10-15H2,1-3H3
InChIKeyBLDFZGUZYMNHRP-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.47
Rot. Bonds15

About 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate

2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate (PubChem CID 173165173) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate.

Molecular Properties

Compound Name2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate
PubChem CID173165173
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate
SMILESCCC=C(OCCOCCCC)C(=O)OCCOCCCC
InChIInChI=1S/C17H32O5/c1-4-7-10-19-12-14-21-16(9-6-3)17(18)22-15-13-20-11-8-5-2/h9H,4-8,10-15H2,1-3H3
InChIKeyBLDFZGUZYMNHRP-UHFFFAOYSA-N
XLogP3.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate?
The IUPAC name of 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate (CID 173165173) is 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate.
What is the SMILES notation for 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate?
The canonical SMILES for 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate is CCC=C(OCCOCCCC)C(=O)OCCOCCCC.
What is the InChIKey of 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate?
The InChIKey is BLDFZGUZYMNHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-4-7-10-19-12-14-21-16(9-6-3)17(18)22-15-13-20-11-8-5-2/h9H,4-8,10-15H2,1-3H3.
What are the key properties of 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate?
2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate has a molecular weight of 316.44 g/mol, XLogP of 3.47, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-(2-butoxyethoxy)pent-2-enoate is sourced from PubChem (CID 173165173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).