3-ethylpent-1-en-3-yl prop-2-enoate

C10H16O2 — CID 135009193

IUPAC3-ethylpent-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)(CC)CC
InChIInChI=1S/C10H16O2/c1-5-9(11)12-10(6-2,7-3)8-4/h5-6H,1-2,7-8H2,3-4H3
InChIKeyNZBZLRPIDXQURF-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds5

About 3-ethylpent-1-en-3-yl prop-2-enoate

3-ethylpent-1-en-3-yl prop-2-enoate (PubChem CID 135009193) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethylpent-1-en-3-yl prop-2-enoate.

Molecular Properties

Compound Name3-ethylpent-1-en-3-yl prop-2-enoate
PubChem CID135009193
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-ethylpent-1-en-3-yl prop-2-enoate
SMILESC=CC(=O)OC(C=C)(CC)CC
InChIInChI=1S/C10H16O2/c1-5-9(11)12-10(6-2,7-3)8-4/h5-6H,1-2,7-8H2,3-4H3
InChIKeyNZBZLRPIDXQURF-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl prop-2-enoate
CID 158231977
2-ethyl-2-prop-2-enoyloxypropanedioic acid
CID 174894826
2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
3-ethylpent-1-en-3-yl propan-2-yl carbonate
CID 139638690
tert-butyl prop-2-enoate;methanol
CID 174833528
3,4-diethylhexan-3-yl prop-2-enoate
CID 175395988
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(1-chloro-2-methylbutan-2-yl) prop-2-enoate
CID 20643700
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate;cycloicosane
CID 174934602

Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-1-en-3-yl prop-2-enoate?
The IUPAC name of 3-ethylpent-1-en-3-yl prop-2-enoate (CID 135009193) is 3-ethylpent-1-en-3-yl prop-2-enoate.
What is the SMILES notation for 3-ethylpent-1-en-3-yl prop-2-enoate?
The canonical SMILES for 3-ethylpent-1-en-3-yl prop-2-enoate is C=CC(=O)OC(C=C)(CC)CC.
What is the InChIKey of 3-ethylpent-1-en-3-yl prop-2-enoate?
The InChIKey is NZBZLRPIDXQURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-9(11)12-10(6-2,7-3)8-4/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of 3-ethylpent-1-en-3-yl prop-2-enoate?
3-ethylpent-1-en-3-yl prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-1-en-3-yl prop-2-enoate is sourced from PubChem (CID 135009193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).