4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene

C13H20O — CID 21467048

IUPAC4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene
SMILESC=COCC(=C)C1CC=C(C)C1(C)C
InChIInChI=1S/C13H20O/c1-6-14-9-10(2)12-8-7-11(3)13(12,4)5/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyVQODEOPXGNFZQZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.70
Rot. Bonds4

About 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene

4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene (PubChem CID 21467048) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene
PubChem CID21467048
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene
SMILESC=COCC(=C)C1CC=C(C)C1(C)C
InChIInChI=1S/C13H20O/c1-6-14-9-10(2)12-8-7-11(3)13(12,4)5/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyVQODEOPXGNFZQZ-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene?
The IUPAC name of 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene (CID 21467048) is 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene.
What is the SMILES notation for 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene?
The canonical SMILES for 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene is C=COCC(=C)C1CC=C(C)C1(C)C.
What is the InChIKey of 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene?
The InChIKey is VQODEOPXGNFZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-14-9-10(2)12-8-7-11(3)13(12,4)5/h6-7,12H,1-2,8-9H2,3-5H3.
What are the key properties of 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene?
4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene has a molecular weight of 192.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenoxyprop-1-en-2-yl)-1,5,5-trimethylcyclopentene is sourced from PubChem (CID 21467048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).