2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one

C14H20O2 — CID 134859070

IUPAC2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one
SMILESC[C@@H](OC1=CCCCC1=O)C1=CCCCC1
InChIInChI=1S/C14H20O2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h7,10-11H,2-6,8-9H2,1H3/t11-/m1/s1
InChIKeyKUYSPUFZYZKCCU-LLVKDONJSA-N
MW220.31 g/mol
LogP3.53
Rot. Bonds3

About 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one

2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one (PubChem CID 134859070) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one
PubChem CID134859070
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one
SMILESC[C@@H](OC1=CCCCC1=O)C1=CCCCC1
InChIInChI=1S/C14H20O2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h7,10-11H,2-6,8-9H2,1H3/t11-/m1/s1
InChIKeyKUYSPUFZYZKCCU-LLVKDONJSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one?
The IUPAC name of 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one (CID 134859070) is 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one?
The canonical SMILES for 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one is C[C@@H](OC1=CCCCC1=O)C1=CCCCC1.
What is the InChIKey of 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one?
The InChIKey is KUYSPUFZYZKCCU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h7,10-11H,2-6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one?
2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one is sourced from PubChem (CID 134859070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).