2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane

C17H32O2 — CID 71100930

IUPAC2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane
SMILESCC1COC(C)(C)C(CC2CC(C)COC2(C)C)C1
InChIInChI=1S/C17H32O2/c1-12-7-14(16(3,4)18-10-12)9-15-8-13(2)11-19-17(15,5)6/h12-15H,7-11H2,1-6H3
InChIKeyNFNYSQBKDYUJES-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.28
Rot. Bonds2

About 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane

2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane (PubChem CID 71100930) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane.

Molecular Properties

Compound Name2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane
PubChem CID71100930
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane
SMILESCC1COC(C)(C)C(CC2CC(C)COC2(C)C)C1
InChIInChI=1S/C17H32O2/c1-12-7-14(16(3,4)18-10-12)9-15-8-13(2)11-19-17(15,5)6/h12-15H,7-11H2,1-6H3
InChIKeyNFNYSQBKDYUJES-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane?
The IUPAC name of 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane (CID 71100930) is 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane.
What is the SMILES notation for 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane?
The canonical SMILES for 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane is CC1COC(C)(C)C(CC2CC(C)COC2(C)C)C1.
What is the InChIKey of 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane?
The InChIKey is NFNYSQBKDYUJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-12-7-14(16(3,4)18-10-12)9-15-8-13(2)11-19-17(15,5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane?
2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane has a molecular weight of 268.44 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-[(2,2,5-trimethyloxan-3-yl)methyl]oxane is sourced from PubChem (CID 71100930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).