cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone

C18H30O3 — CID 140522461

IUPACcyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
SMILESO=C(C1CCCCC1)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C18H30O3/c19-18(14-6-2-1-3-7-14)15-9-11-16(12-10-15)21-17-8-4-5-13-20-17/h14-17H,1-13H2
InChIKeyDDPKLUJMSCPORV-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.24
Rot. Bonds4

About cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone

cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone (PubChem CID 140522461) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
PubChem CID140522461
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Namecyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
SMILESO=C(C1CCCCC1)C1CCC(OC2CCCCO2)CC1
InChIInChI=1S/C18H30O3/c19-18(14-6-2-1-3-7-14)15-9-11-16(12-10-15)21-17-8-4-5-13-20-17/h14-17H,1-13H2
InChIKeyDDPKLUJMSCPORV-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone?
The IUPAC name of cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone (CID 140522461) is cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone.
What is the SMILES notation for cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone?
The canonical SMILES for cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone is O=C(C1CCCCC1)C1CCC(OC2CCCCO2)CC1.
What is the InChIKey of cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone?
The InChIKey is DDPKLUJMSCPORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c19-18(14-6-2-1-3-7-14)15-9-11-16(12-10-15)21-17-8-4-5-13-20-17/h14-17H,1-13H2.
What are the key properties of cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone?
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone has a molecular weight of 294.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone is sourced from PubChem (CID 140522461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).