3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one

C15H20O — CID 67862425

IUPAC3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one
SMILESC=CCC1=CC(CC=C)(CC=C)CC(=O)C1
InChIInChI=1S/C15H20O/c1-4-7-13-10-14(16)12-15(11-13,8-5-2)9-6-3/h4-6,11H,1-3,7-10,12H2
InChIKeyZFROYGGFTMHXJT-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.99
Rot. Bonds6

About 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one

3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one (PubChem CID 67862425) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one
PubChem CID67862425
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one
SMILESC=CCC1=CC(CC=C)(CC=C)CC(=O)C1
InChIInChI=1S/C15H20O/c1-4-7-13-10-14(16)12-15(11-13,8-5-2)9-6-3/h4-6,11H,1-3,7-10,12H2
InChIKeyZFROYGGFTMHXJT-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tris(prop-2-enyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 139957494
3-prop-2-enylcyclopent-2-en-1-one
CID 11988999
1-prop-2-enylcyclopenta-1,3-diene;ruthenium;2,3,4,5-tetramethyl-1H-pyrrole
CID 174567272
CID 173256635
CID 173256635
(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14395464
(1R,5R)-7-prop-2-enylbicyclo[3.3.1]non-6-en-3-one
CID 10631111
2,5,6-tris(prop-2-enyl)-1H-indene
CID 173141663
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione
CID 56957642
3,3,5-trimethyl-5-prop-2-enylcyclohexan-1-one
CID 14874840
3-methyl-3-prop-2-enyloxepan-2-one
CID 174899339
5,5-bis(prop-2-enyl)-1,3-dioxan-2-one
CID 54525893

Frequently Asked Questions

What is the IUPAC name of 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one?
The IUPAC name of 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one (CID 67862425) is 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one.
What is the SMILES notation for 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one?
The canonical SMILES for 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one is C=CCC1=CC(CC=C)(CC=C)CC(=O)C1.
What is the InChIKey of 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one?
The InChIKey is ZFROYGGFTMHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-7-13-10-14(16)12-15(11-13,8-5-2)9-6-3/h4-6,11H,1-3,7-10,12H2.
What are the key properties of 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one?
3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-tris(prop-2-enyl)cyclohex-3-en-1-one is sourced from PubChem (CID 67862425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).