5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene

C19H28O2 — CID 70565816

IUPAC5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1OCC2=C3C=CC(C3)C21
InChIInChI=1S/C19H28O2/c1-11(2)15-7-4-12(3)8-17(15)21-19-18-14-6-5-13(9-14)16(18)10-20-19/h5-6,11-12,14-15,17-19H,4,7-10H2,1-3H3/t12-,14?,15+,17-,18?,19?/m0/s1
InChIKeyOMNZFOCALUIGOQ-YZJLWGCASA-N
MW288.43 g/mol
LogP4.32
Rot. Bonds3

About 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene

5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene (PubChem CID 70565816) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene.

Molecular Properties

Compound Name5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene
PubChem CID70565816
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1OCC2=C3C=CC(C3)C21
InChIInChI=1S/C19H28O2/c1-11(2)15-7-4-12(3)8-17(15)21-19-18-14-6-5-13(9-14)16(18)10-20-19/h5-6,11-12,14-15,17-19H,4,7-10H2,1-3H3/t12-,14?,15+,17-,18?,19?/m0/s1
InChIKeyOMNZFOCALUIGOQ-YZJLWGCASA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
The IUPAC name of 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene (CID 70565816) is 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene.
What is the SMILES notation for 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
The canonical SMILES for 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene is CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC1OCC2=C3C=CC(C3)C21.
What is the InChIKey of 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
The InChIKey is OMNZFOCALUIGOQ-YZJLWGCASA-N. The full InChI is InChI=1S/C19H28O2/c1-11(2)15-7-4-12(3)8-17(15)21-19-18-14-6-5-13(9-14)16(18)10-20-19/h5-6,11-12,14-15,17-19H,4,7-10H2,1-3H3/t12-,14?,15+,17-,18?,19?/m0/s1.
What are the key properties of 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene?
5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene has a molecular weight of 288.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.1.02,6]deca-1,8-diene is sourced from PubChem (CID 70565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).