3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane

C19H36O2 — CID 71100929

IUPAC3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane
SMILESCC1COC(C)C(C(C2CC(C)COC2C)C(C)(C)C)C1
InChIInChI=1S/C19H36O2/c1-12-8-16(14(3)20-10-12)18(19(5,6)7)17-9-13(2)11-21-15(17)4/h12-18H,8-11H2,1-7H3
InChIKeySZTIKGMYPCOPIG-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.77
Rot. Bonds2

About 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane

3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane (PubChem CID 71100929) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane.

Molecular Properties

Compound Name3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane
PubChem CID71100929
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane
SMILESCC1COC(C)C(C(C2CC(C)COC2C)C(C)(C)C)C1
InChIInChI=1S/C19H36O2/c1-12-8-16(14(3)20-10-12)18(19(5,6)7)17-9-13(2)11-21-15(17)4/h12-18H,8-11H2,1-7H3
InChIKeySZTIKGMYPCOPIG-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane?
The IUPAC name of 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane (CID 71100929) is 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane.
What is the SMILES notation for 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane?
The canonical SMILES for 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane is CC1COC(C)C(C(C2CC(C)COC2C)C(C)(C)C)C1.
What is the InChIKey of 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane?
The InChIKey is SZTIKGMYPCOPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-12-8-16(14(3)20-10-12)18(19(5,6)7)17-9-13(2)11-21-15(17)4/h12-18H,8-11H2,1-7H3.
What are the key properties of 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane?
3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane has a molecular weight of 296.50 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethyloxan-3-yl)-2,2-dimethylpropyl]-2,5-dimethyloxane is sourced from PubChem (CID 71100929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).