8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane

C15H28O2 — CID 170429744

IUPAC8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane
SMILESCC(C)CC12CCCOC(C(C)O1)C2C(C)C
InChIInChI=1S/C15H28O2/c1-10(2)9-15-7-6-8-16-14(12(5)17-15)13(15)11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyFWOCFGUPVPQDFR-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.64
Rot. Bonds3

About 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane

8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane (PubChem CID 170429744) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane
PubChem CID170429744
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane
SMILESCC(C)CC12CCCOC(C(C)O1)C2C(C)C
InChIInChI=1S/C15H28O2/c1-10(2)9-15-7-6-8-16-14(12(5)17-15)13(15)11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyFWOCFGUPVPQDFR-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane?
The IUPAC name of 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane (CID 170429744) is 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane.
What is the SMILES notation for 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane?
The canonical SMILES for 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane is CC(C)CC12CCCOC(C(C)O1)C2C(C)C.
What is the InChIKey of 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane?
The InChIKey is FWOCFGUPVPQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-10(2)9-15-7-6-8-16-14(12(5)17-15)13(15)11(3)4/h10-14H,6-9H2,1-5H3.
What are the key properties of 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane?
8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane has a molecular weight of 240.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(2-methylpropyl)-9-propan-2-yl-2,7-dioxabicyclo[4.2.1]nonane is sourced from PubChem (CID 170429744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).