3-(4-propoxycyclohexyl)cyclohex-2-en-1-one

C15H24O2 — CID 23041561

IUPAC3-(4-propoxycyclohexyl)cyclohex-2-en-1-one
SMILESCCCOC1CCC(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C15H24O2/c1-2-10-17-15-8-6-12(7-9-15)13-4-3-5-14(16)11-13/h11-12,15H,2-10H2,1H3
InChIKeyQDHYBWSCKYAGPG-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds4

About 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one

3-(4-propoxycyclohexyl)cyclohex-2-en-1-one (PubChem CID 23041561) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-propoxycyclohexyl)cyclohex-2-en-1-one
PubChem CID23041561
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-(4-propoxycyclohexyl)cyclohex-2-en-1-one
SMILESCCCOC1CCC(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C15H24O2/c1-2-10-17-15-8-6-12(7-9-15)13-4-3-5-14(16)11-13/h11-12,15H,2-10H2,1H3
InChIKeyQDHYBWSCKYAGPG-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one (CID 23041561) is 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one is CCCOC1CCC(C2=CC(=O)CCC2)CC1.
What is the InChIKey of 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one?
The InChIKey is QDHYBWSCKYAGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-10-17-15-8-6-12(7-9-15)13-4-3-5-14(16)11-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one?
3-(4-propoxycyclohexyl)cyclohex-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxycyclohexyl)cyclohex-2-en-1-one is sourced from PubChem (CID 23041561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).