4-(4-methoxycyclohexyl)cyclohexan-1-one

C13H22O2 — CID 22492944

IUPAC4-(4-methoxycyclohexyl)cyclohexan-1-one
SMILESCOC1CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C13H22O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h10-11,13H,2-9H2,1H3
InChIKeyGOSPUCRVGGFLQA-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds2

About 4-(4-methoxycyclohexyl)cyclohexan-1-one

4-(4-methoxycyclohexyl)cyclohexan-1-one (PubChem CID 22492944) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(4-methoxycyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-methoxycyclohexyl)cyclohexan-1-one
PubChem CID22492944
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(4-methoxycyclohexyl)cyclohexan-1-one
SMILESCOC1CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C13H22O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h10-11,13H,2-9H2,1H3
InChIKeyGOSPUCRVGGFLQA-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycyclohexyl)cyclohexan-1-one?
The IUPAC name of 4-(4-methoxycyclohexyl)cyclohexan-1-one (CID 22492944) is 4-(4-methoxycyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-methoxycyclohexyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-methoxycyclohexyl)cyclohexan-1-one is COC1CCC(C2CCC(=O)CC2)CC1.
What is the InChIKey of 4-(4-methoxycyclohexyl)cyclohexan-1-one?
The InChIKey is GOSPUCRVGGFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-(4-methoxycyclohexyl)cyclohexan-1-one?
4-(4-methoxycyclohexyl)cyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 22492944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).