hex-5-en-3-yl but-3-enoate

C10H16O2 — CID 135029654

IUPAChex-5-en-3-yl but-3-enoate
SMILESC=CCC(=O)OC(CC)CC=C
InChIInChI=1S/C10H16O2/c1-4-7-9(6-3)12-10(11)8-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyBEENFGYKOSITFR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds6

About hex-5-en-3-yl but-3-enoate

hex-5-en-3-yl but-3-enoate (PubChem CID 135029654) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is hex-5-en-3-yl but-3-enoate.

Molecular Properties

Compound Namehex-5-en-3-yl but-3-enoate
PubChem CID135029654
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namehex-5-en-3-yl but-3-enoate
SMILESC=CCC(=O)OC(CC)CC=C
InChIInChI=1S/C10H16O2/c1-4-7-9(6-3)12-10(11)8-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyBEENFGYKOSITFR-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 hex-5-en-3-yl but-3-enoate?
The IUPAC name of hex-5-en-3-yl but-3-enoate (CID 135029654) is hex-5-en-3-yl but-3-enoate.
What is the SMILES notation for hex-5-en-3-yl but-3-enoate?
The canonical SMILES for hex-5-en-3-yl but-3-enoate is C=CCC(=O)OC(CC)CC=C.
What is the InChIKey of hex-5-en-3-yl but-3-enoate?
The InChIKey is BEENFGYKOSITFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-9(6-3)12-10(11)8-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of hex-5-en-3-yl but-3-enoate?
hex-5-en-3-yl but-3-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-3-yl but-3-enoate is sourced from PubChem (CID 135029654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).