2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane

C15H28O2 — CID 155027210

IUPAC2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane
SMILESCC1CCC(C(C)(C)C2CCOC(C)C2)CO1
InChIInChI=1S/C15H28O2/c1-11-5-6-14(10-17-11)15(3,4)13-7-8-16-12(2)9-13/h11-14H,5-10H2,1-4H3
InChIKeyZAMLGRXKVJIGRW-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.64
Rot. Bonds2

About 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane

2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane (PubChem CID 155027210) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane.

Molecular Properties

Compound Name2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane
PubChem CID155027210
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane
SMILESCC1CCC(C(C)(C)C2CCOC(C)C2)CO1
InChIInChI=1S/C15H28O2/c1-11-5-6-14(10-17-11)15(3,4)13-7-8-16-12(2)9-13/h11-14H,5-10H2,1-4H3
InChIKeyZAMLGRXKVJIGRW-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane?
The IUPAC name of 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane (CID 155027210) is 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane.
What is the SMILES notation for 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane?
The canonical SMILES for 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane is CC1CCC(C(C)(C)C2CCOC(C)C2)CO1.
What is the InChIKey of 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane?
The InChIKey is ZAMLGRXKVJIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11-5-6-14(10-17-11)15(3,4)13-7-8-16-12(2)9-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane?
2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane has a molecular weight of 240.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(6-methyloxan-3-yl)propan-2-yl]oxane is sourced from PubChem (CID 155027210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).