3-ethenyl-3-prop-2-enoxyundec-1-ene

C16H28O — CID 15361423

IUPAC3-ethenyl-3-prop-2-enoxyundec-1-ene
SMILESC=CCOC(C=C)(C=C)CCCCCCCC
InChIInChI=1S/C16H28O/c1-5-9-10-11-12-13-14-16(7-3,8-4)17-15-6-2/h6-8H,2-5,9-15H2,1H3
InChIKeyDYJGJZOIZOJUFA-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.05
Rot. Bonds12

About 3-ethenyl-3-prop-2-enoxyundec-1-ene

3-ethenyl-3-prop-2-enoxyundec-1-ene (PubChem CID 15361423) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-ethenyl-3-prop-2-enoxyundec-1-ene.

Molecular Properties

Compound Name3-ethenyl-3-prop-2-enoxyundec-1-ene
PubChem CID15361423
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3-ethenyl-3-prop-2-enoxyundec-1-ene
SMILESC=CCOC(C=C)(C=C)CCCCCCCC
InChIInChI=1S/C16H28O/c1-5-9-10-11-12-13-14-16(7-3,8-4)17-15-6-2/h6-8H,2-5,9-15H2,1H3
InChIKeyDYJGJZOIZOJUFA-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-prop-2-enoxyundec-1-ene?
The IUPAC name of 3-ethenyl-3-prop-2-enoxyundec-1-ene (CID 15361423) is 3-ethenyl-3-prop-2-enoxyundec-1-ene.
What is the SMILES notation for 3-ethenyl-3-prop-2-enoxyundec-1-ene?
The canonical SMILES for 3-ethenyl-3-prop-2-enoxyundec-1-ene is C=CCOC(C=C)(C=C)CCCCCCCC.
What is the InChIKey of 3-ethenyl-3-prop-2-enoxyundec-1-ene?
The InChIKey is DYJGJZOIZOJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-5-9-10-11-12-13-14-16(7-3,8-4)17-15-6-2/h6-8H,2-5,9-15H2,1H3.
What are the key properties of 3-ethenyl-3-prop-2-enoxyundec-1-ene?
3-ethenyl-3-prop-2-enoxyundec-1-ene has a molecular weight of 236.40 g/mol, XLogP of 5.05, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-prop-2-enoxyundec-1-ene is sourced from PubChem (CID 15361423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).