5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one

C15H24O2 — CID 581518

IUPAC5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one
SMILESCC(C)C1CC(=O)C23CCCC(C)C2C1OC3
InChIInChI=1S/C15H24O2/c1-9(2)11-7-12(16)15-6-4-5-10(3)13(15)14(11)17-8-15/h9-11,13-14H,4-8H2,1-3H3
InChIKeyFEXVUUVLBXCFED-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.05
Rot. Bonds1

About 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one

5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one (PubChem CID 581518) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one.

Molecular Properties

Compound Name5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one
PubChem CID581518
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one
SMILESCC(C)C1CC(=O)C23CCCC(C)C2C1OC3
InChIInChI=1S/C15H24O2/c1-9(2)11-7-12(16)15-6-4-5-10(3)13(15)14(11)17-8-15/h9-11,13-14H,4-8H2,1-3H3
InChIKeyFEXVUUVLBXCFED-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one?
The IUPAC name of 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one (CID 581518) is 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one.
What is the SMILES notation for 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one?
The canonical SMILES for 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one is CC(C)C1CC(=O)C23CCCC(C)C2C1OC3.
What is the InChIKey of 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one?
The InChIKey is FEXVUUVLBXCFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)11-7-12(16)15-6-4-5-10(3)13(15)14(11)17-8-15/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one?
5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one has a molecular weight of 236.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodecan-10-one is sourced from PubChem (CID 581518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).