5-hexoxy-2,2-dimethyloxolane

C12H24O2 — CID 118976696

IUPAC5-hexoxy-2,2-dimethyloxolane
SMILESCCCCCCOC1CCC(C)(C)O1
InChIInChI=1S/C12H24O2/c1-4-5-6-7-10-13-11-8-9-12(2,3)14-11/h11H,4-10H2,1-3H3
InChIKeyRYOVSGSAWWEDFA-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.50
Rot. Bonds6

About 5-hexoxy-2,2-dimethyloxolane

5-hexoxy-2,2-dimethyloxolane (PubChem CID 118976696) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5-hexoxy-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-hexoxy-2,2-dimethyloxolane
PubChem CID118976696
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5-hexoxy-2,2-dimethyloxolane
SMILESCCCCCCOC1CCC(C)(C)O1
InChIInChI=1S/C12H24O2/c1-4-5-6-7-10-13-11-8-9-12(2,3)14-11/h11H,4-10H2,1-3H3
InChIKeyRYOVSGSAWWEDFA-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Hexoxyoxolane
CID 12362165
2-Butoxy-4-butyltetrahydrofuran
CID 12794833
2-Tert.-butyl-4,4,7,7,-tetramethyl-1,3-dioxacycloheptane
CID 13980748
4,4,7,7-Tetramethyl-2-propan-2-yl-1,3-dioxepane
CID 13980749
2,4,4,7,7-Pentamethyl-1,3-dioxepane
CID 13980750
4,4,7,7-Tetramethyl-2-propyl-1,3-dioxepane
CID 13980752
(2S,3R)-5-ethoxy-3-methyl-2-propan-2-yloxolane
CID 10525358
4-Methoxy-5-methyl-1,1-di(propan-2-yloxy)hexane
CID 11032174
5-Butoxy-2,2,3-trimethyloxolane
CID 12007913
(5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane
CID 46863241
6,6-Diethoxy-3-ethylhexan-3-ol
CID 121007581
(2R,3S)-5-ethoxy-3-methyl-2-propan-2-yloxolane
CID 134904895

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2,2-dimethyloxolane?
The IUPAC name of 5-hexoxy-2,2-dimethyloxolane (CID 118976696) is 5-hexoxy-2,2-dimethyloxolane.
What is the SMILES notation for 5-hexoxy-2,2-dimethyloxolane?
The canonical SMILES for 5-hexoxy-2,2-dimethyloxolane is CCCCCCOC1CCC(C)(C)O1.
What is the InChIKey of 5-hexoxy-2,2-dimethyloxolane?
The InChIKey is RYOVSGSAWWEDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-5-6-7-10-13-11-8-9-12(2,3)14-11/h11H,4-10H2,1-3H3.
What are the key properties of 5-hexoxy-2,2-dimethyloxolane?
5-hexoxy-2,2-dimethyloxolane has a molecular weight of 200.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2,2-dimethyloxolane is sourced from PubChem (CID 118976696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).