2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one

C13H18O2 — CID 169082176

IUPAC2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=CCOC1=C(C)C(=O)CC(C(=C)C)C1
InChIInChI=1S/C13H18O2/c1-5-6-15-13-8-11(9(2)3)7-12(14)10(13)4/h5,11H,1-2,6-8H2,3-4H3
InChIKeyBKVRKFOOZNRJKK-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.02
Rot. Bonds4

About 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one

2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 169082176) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID169082176
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=CCOC1=C(C)C(=O)CC(C(=C)C)C1
InChIInChI=1S/C13H18O2/c1-5-6-15-13-8-11(9(2)3)7-12(14)10(13)4/h5,11H,1-2,6-8H2,3-4H3
InChIKeyBKVRKFOOZNRJKK-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-methylpropoxy)-
CID 558764
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
2-Cyclohexen-1-one, 2,6,6-trimethyl-3-(2-methylpropoxy)-
CID 10921765
6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
3-Ethoxy-2,6-dimethylcyclohex-2-en-1-one
CID 13600083
4-Acetyl-1-ethoxycyclohexene
CID 130029165
Carvone acrylate
CID 140773107
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
2-Cyclohexen-1-one, 3-ethoxy-6-propyl-
CID 10352328
3-Ethoxy-6-propan-2-ylcyclohex-2-en-1-one
CID 10375079
3-Ethoxy-7-(prop-2-en-1-yl)cyclohept-2-en-1-one
CID 15670652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 169082176) is 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=CCOC1=C(C)C(=O)CC(C(=C)C)C1.
What is the InChIKey of 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is BKVRKFOOZNRJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-6-15-13-8-11(9(2)3)7-12(14)10(13)4/h5,11H,1-2,6-8H2,3-4H3.
What are the key properties of 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one?
2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enoxy-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 169082176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).