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

C14H26O2 — CID 71100810

IUPAC2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane
SMILESCC1OCCCC1C(C)C1CCCOC1C
InChIInChI=1S/C14H26O2/c1-10(13-6-4-8-15-11(13)2)14-7-5-9-16-12(14)3/h10-14H,4-9H2,1-3H3
InChIKeyGOQJRXQFPKOBJS-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.25
Rot. Bonds2

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

2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane (PubChem CID 71100810) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane.

Molecular Properties

Compound Name2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane
PubChem CID71100810
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane
SMILESCC1OCCCC1C(C)C1CCCOC1C
InChIInChI=1S/C14H26O2/c1-10(13-6-4-8-15-11(13)2)14-7-5-9-16-12(14)3/h10-14H,4-9H2,1-3H3
InChIKeyGOQJRXQFPKOBJS-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane?
The IUPAC name of 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane (CID 71100810) is 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane.
What is the SMILES notation for 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane?
The canonical SMILES for 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane is CC1OCCCC1C(C)C1CCCOC1C.
What is the InChIKey of 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane?
The InChIKey is GOQJRXQFPKOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(13-6-4-8-15-11(13)2)14-7-5-9-16-12(14)3/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane?
2-methyl-3-[1-(2-methyloxan-3-yl)ethyl]oxane has a molecular weight of 226.36 g/mol, XLogP of 3.25, 2 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)ethyl]oxane is sourced from PubChem (CID 71100810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).