ethyl 5-prop-1-en-2-yloxypentanoate

C10H18O3 — CID 87413357

IUPACethyl 5-prop-1-en-2-yloxypentanoate
SMILESC=C(C)OCCCCC(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-12-10(11)7-5-6-8-13-9(2)3/h2,4-8H2,1,3H3
InChIKeyANBMCPQHJDQWDX-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds7

About ethyl 5-prop-1-en-2-yloxypentanoate

ethyl 5-prop-1-en-2-yloxypentanoate (PubChem CID 87413357) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 5-prop-1-en-2-yloxypentanoate.

Molecular Properties

Compound Nameethyl 5-prop-1-en-2-yloxypentanoate
PubChem CID87413357
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 5-prop-1-en-2-yloxypentanoate
SMILESC=C(C)OCCCCC(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-12-10(11)7-5-6-8-13-9(2)3/h2,4-8H2,1,3H3
InChIKeyANBMCPQHJDQWDX-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl hexanedioate
CID 160747628
diethyl 6-methylideneundecanedioate
CID 57123077
diethyl icosanedioate
CID 5058538
ethyl 5-methoxypentanoate
CID 21476247
6-O-butyl 1-O-ethyl hexanedioate
CID 22057026
ethyl 5-(2-methylpropanoyloxy)pentanoate
CID 156656720
(12-ethoxy-12-oxododecyl) 12-hydroxydodecanoate
CID 135019487
ethyl 6-aminooxyhexanoate
CID 10559164
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 10-fluoroundec-10-enoate
CID 11791034

Frequently Asked Questions

What is the IUPAC name of ethyl 5-prop-1-en-2-yloxypentanoate?
The IUPAC name of ethyl 5-prop-1-en-2-yloxypentanoate (CID 87413357) is ethyl 5-prop-1-en-2-yloxypentanoate.
What is the SMILES notation for ethyl 5-prop-1-en-2-yloxypentanoate?
The canonical SMILES for ethyl 5-prop-1-en-2-yloxypentanoate is C=C(C)OCCCCC(=O)OCC.
What is the InChIKey of ethyl 5-prop-1-en-2-yloxypentanoate?
The InChIKey is ANBMCPQHJDQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-12-10(11)7-5-6-8-13-9(2)3/h2,4-8H2,1,3H3.
What are the key properties of ethyl 5-prop-1-en-2-yloxypentanoate?
ethyl 5-prop-1-en-2-yloxypentanoate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-prop-1-en-2-yloxypentanoate is sourced from PubChem (CID 87413357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).