7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane

C14H26O2 — CID 59650741

IUPAC7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)CC12CCOC(C(C)O1)C2C(C)C
InChIInChI=1S/C14H26O2/c1-9(2)8-14-6-7-15-13(11(5)16-14)12(14)10(3)4/h9-13H,6-8H2,1-5H3
InChIKeyIGPZBSZBJSMPAK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.25
Rot. Bonds3

About 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane

7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 59650741) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane
PubChem CID59650741
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane
SMILESCC(C)CC12CCOC(C(C)O1)C2C(C)C
InChIInChI=1S/C14H26O2/c1-9(2)8-14-6-7-15-13(11(5)16-14)12(14)10(3)4/h9-13H,6-8H2,1-5H3
InChIKeyIGPZBSZBJSMPAK-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane (CID 59650741) is 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane is CC(C)CC12CCOC(C(C)O1)C2C(C)C.
What is the InChIKey of 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is IGPZBSZBJSMPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-9(2)8-14-6-7-15-13(11(5)16-14)12(14)10(3)4/h9-13H,6-8H2,1-5H3.
What are the key properties of 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane?
7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 226.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(2-methylpropyl)-8-propan-2-yl-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 59650741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).