2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one

C18H26O3 — CID 123622495

IUPAC2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one
SMILESO=C1CCCC(C2CCC(OC3C=CCCC3)C(=O)C2)C1
InChIInChI=1S/C18H26O3/c19-15-6-4-5-13(11-15)14-9-10-18(17(20)12-14)21-16-7-2-1-3-8-16/h2,7,13-14,16,18H,1,3-6,8-12H2
InChIKeyMISUCEZKNBMLIU-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.61
Rot. Bonds3

About 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one

2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one (PubChem CID 123622495) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one
PubChem CID123622495
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one
SMILESO=C1CCCC(C2CCC(OC3C=CCCC3)C(=O)C2)C1
InChIInChI=1S/C18H26O3/c19-15-6-4-5-13(11-15)14-9-10-18(17(20)12-14)21-16-7-2-1-3-8-16/h2,7,13-14,16,18H,1,3-6,8-12H2
InChIKeyMISUCEZKNBMLIU-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(Cyclohexanecarbonyl)cyclohex-2-en-1-yl] cyclohexanecarboxylate
CID 140437457
(1S,3S,4S)-1-methoxy-3-prop-2-enylbicyclo[2.2.2]oct-5-en-2-one
CID 10856313
(1S,3R,4S)-1-methoxy-3-prop-2-enylbicyclo[2.2.2]oct-5-en-2-one
CID 11106200

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one?
The IUPAC name of 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one (CID 123622495) is 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one?
The canonical SMILES for 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one is O=C1CCCC(C2CCC(OC3C=CCCC3)C(=O)C2)C1.
What is the InChIKey of 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one?
The InChIKey is MISUCEZKNBMLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c19-15-6-4-5-13(11-15)14-9-10-18(17(20)12-14)21-16-7-2-1-3-8-16/h2,7,13-14,16,18H,1,3-6,8-12H2.
What are the key properties of 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one?
2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one has a molecular weight of 290.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yloxy-5-(3-oxocyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 123622495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).