2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane

Name: 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₈O₂ — CID 71100926

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane

SMILESCCC(C1CCCOC1C)C1CCCOC1C

InChIInChI=1S/C15H28O2/c1-4-13(14-7-5-9-16-11(14)2)15-8-6-10-17-12(15)3/h11-15H,4-10H2,1-3H3

InChIKeyZSGRENGPONXJSH-UHFFFAOYSA-N

MW240.39 g/mol

LogP3.64

Rot. Bonds3

About 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane

2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane (PubChem CID 71100926) has the molecular formula C₁₅H₂₈O₂ and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane.

Molecular Properties

Compound Name	2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane
PubChem CID	71100926
Molecular Formula	C₁₅H₂₈O₂
Molecular Weight	240.39 g/mol
Exact Mass	240.21
IUPAC Name	2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane
SMILES	CCC(C1CCCOC1C)C1CCCOC1C
InChI	InChI=1S/C15H28O2/c1-4-13(14-7-5-9-16-11(14)2)15-8-6-10-17-12(15)3/h11-15H,4-10H2,1-3H3
InChIKey	ZSGRENGPONXJSH-UHFFFAOYSA-N
XLogP	3.64
TPSA	18.46 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.39
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?

The IUPAC name of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane (CID 71100926) is 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane.

What is the SMILES notation for 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?

The canonical SMILES for 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane is CCC(C1CCCOC1C)C1CCCOC1C.

What is the InChIKey of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?

The InChIKey is ZSGRENGPONXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-13(14-7-5-9-16-11(14)2)15-8-6-10-17-12(15)3/h11-15H,4-10H2,1-3H3.

What are the key properties of 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane?

2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane 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 2-methyl-3-[1-(2-methyloxan-3-yl)propyl]oxane is sourced from PubChem (CID 71100926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 71100926 — identifiers, structure, computed properties (public domain)

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