2-(3-methylpentoxy)oxane

C11H22O2 — CID 14309360

IUPAC2-(3-methylpentoxy)oxane
SMILESCCC(C)CCOC1CCCCO1
InChIInChI=1S/C11H22O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h10-11H,3-9H2,1-2H3
InChIKeyZBZYZEDGNYZUOY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds5

About 2-(3-methylpentoxy)oxane

2-(3-methylpentoxy)oxane (PubChem CID 14309360) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(3-methylpentoxy)oxane.

Molecular Properties

Compound Name2-(3-methylpentoxy)oxane
PubChem CID14309360
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(3-methylpentoxy)oxane
SMILESCCC(C)CCOC1CCCCO1
InChIInChI=1S/C11H22O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h10-11H,3-9H2,1-2H3
InChIKeyZBZYZEDGNYZUOY-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-(6-methylheptoxy)oxane
CID 139685112
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
2-octacosoxyoxane
CID 11214102
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
methyl (E,6S)-6-methyl-8-(oxan-2-yloxy)oct-2-enoate
CID 11977271
(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
CID 10469994
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-butan-2-yloxyoxane
CID 559028

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentoxy)oxane?
The IUPAC name of 2-(3-methylpentoxy)oxane (CID 14309360) is 2-(3-methylpentoxy)oxane.
What is the SMILES notation for 2-(3-methylpentoxy)oxane?
The canonical SMILES for 2-(3-methylpentoxy)oxane is CCC(C)CCOC1CCCCO1.
What is the InChIKey of 2-(3-methylpentoxy)oxane?
The InChIKey is ZBZYZEDGNYZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-10(2)7-9-13-11-6-4-5-8-12-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(3-methylpentoxy)oxane?
2-(3-methylpentoxy)oxane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentoxy)oxane is sourced from PubChem (CID 14309360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).