3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene

C16H22O2 — CID 70563443

IUPAC3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene
SMILESCC1OC(OC2CCCCC2)C2=C3C=CC(C3)C21
InChIInChI=1S/C16H22O2/c1-10-14-11-7-8-12(9-11)15(14)16(17-10)18-13-5-3-2-4-6-13/h7-8,10-11,13-14,16H,2-6,9H2,1H3
InChIKeyPKLFRNXGOIFYCI-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.58
Rot. Bonds2

About 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene

3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene (PubChem CID 70563443) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene.

Molecular Properties

Compound Name3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene
PubChem CID70563443
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene
SMILESCC1OC(OC2CCCCC2)C2=C3C=CC(C3)C21
InChIInChI=1S/C16H22O2/c1-10-14-11-7-8-12(9-11)15(14)16(17-10)18-13-5-3-2-4-6-13/h7-8,10-11,13-14,16H,2-6,9H2,1H3
InChIKeyPKLFRNXGOIFYCI-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
The IUPAC name of 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene (CID 70563443) is 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene.
What is the SMILES notation for 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
The canonical SMILES for 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene is CC1OC(OC2CCCCC2)C2=C3C=CC(C3)C21.
What is the InChIKey of 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
The InChIKey is PKLFRNXGOIFYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-10-14-11-7-8-12(9-11)15(14)16(17-10)18-13-5-3-2-4-6-13/h7-8,10-11,13-14,16H,2-6,9H2,1H3.
What are the key properties of 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene has a molecular weight of 246.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-5-methyl-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene is sourced from PubChem (CID 70563443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).