2,2-dimethyl-1,6-dioxaspiro[2.5]octane

C8H14O2 — CID 90800118

IUPAC2,2-dimethyl-1,6-dioxaspiro[2.5]octane
SMILESCC1(C)OC12CCOCC2
InChIInChI=1S/C8H14O2/c1-7(2)8(10-7)3-5-9-6-4-8/h3-6H2,1-2H3
InChIKeyYZPXXVZVPLBYHK-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds

About 2,2-dimethyl-1,6-dioxaspiro[2.5]octane

2,2-dimethyl-1,6-dioxaspiro[2.5]octane (PubChem CID 90800118) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,2-dimethyl-1,6-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-dimethyl-1,6-dioxaspiro[2.5]octane
PubChem CID90800118
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,2-dimethyl-1,6-dioxaspiro[2.5]octane
SMILESCC1(C)OC12CCOCC2
InChIInChI=1S/C8H14O2/c1-7(2)8(10-7)3-5-9-6-4-8/h3-6H2,1-2H3
InChIKeyYZPXXVZVPLBYHK-UHFFFAOYSA-N
XLogP1.34
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,6-Dioxaspiro[2.5]octane
CID 160439
2-Methyl-1,6-dioxaspiro[2.5]octane
CID 59822462
2-(2-Hydroperoxyethyl)-2,3,3-trimethyloxirane
CID 134896096
4-Ethoxy-4-propan-2-yloxane
CID 57762483
4-Methoxy-4-propan-2-yloxane
CID 57762499
(3S,4R,5R)-5-(deuteriomethyl)-4-methyl-1,6-dioxaspiro[2.5]octane
CID 58359319
4-(2-Methoxypropan-2-yl)oxane
CID 59169349
(5R,7S)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane
CID 59469426
5,7-Dimethyl-1,6-dioxaspiro[2.5]octane
CID 72294456
4,5-Dimethyl-1,6-dioxaspiro[2.5]octane
CID 76733277
(5S)-5,7-dimethyl-1,6-dioxaspiro[2.5]octane
CID 88997491
4-Methyl-1,6-dioxaspiro[2.5]octane
CID 129254304

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,6-dioxaspiro[2.5]octane?
The IUPAC name of 2,2-dimethyl-1,6-dioxaspiro[2.5]octane (CID 90800118) is 2,2-dimethyl-1,6-dioxaspiro[2.5]octane.
What is the SMILES notation for 2,2-dimethyl-1,6-dioxaspiro[2.5]octane?
The canonical SMILES for 2,2-dimethyl-1,6-dioxaspiro[2.5]octane is CC1(C)OC12CCOCC2.
What is the InChIKey of 2,2-dimethyl-1,6-dioxaspiro[2.5]octane?
The InChIKey is YZPXXVZVPLBYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)8(10-7)3-5-9-6-4-8/h3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,6-dioxaspiro[2.5]octane?
2,2-dimethyl-1,6-dioxaspiro[2.5]octane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,6-dioxaspiro[2.5]octane is sourced from PubChem (CID 90800118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).