4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane

C10H20O2 — CID 142311739

IUPAC4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane
SMILESCC.CC1OCCC2(CO2)C1C
InChIInChI=1S/C8H14O2.C2H6/c1-6-7(2)9-4-3-8(6)5-10-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyBZFBZLMITWKYQN-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds

About 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane

4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane (PubChem CID 142311739) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane.

Molecular Properties

Compound Name4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane
PubChem CID142311739
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane
SMILESCC.CC1OCCC2(CO2)C1C
InChIInChI=1S/C8H14O2.C2H6/c1-6-7(2)9-4-3-8(6)5-10-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyBZFBZLMITWKYQN-UHFFFAOYSA-N
XLogP2.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
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

(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
(3aR,4S,7aS)-3,4,7a-trimethyl-3a,4,6,7-tetrahydro-2H-pyrano[3,4-d][1,3]oxazole
CID 70313279
(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493
1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 82717591
(3R,4R,5S)-4-hydroxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde
CID 88928744
(2S)-4,4-difluoro-2-methyloxane
CID 125450788
ethane;(2S,3R,4S)-3-methoxy-2,4-dimethyl-4-propan-2-yloxane
CID 143101195
(3R,4S,5S)-5-methoxy-4-methyl-1-oxaspiro[2.5]octan-6-one
CID 138545463
(2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane
CID 129313677
(2S,3R,4S)-3-(dimethylamino)-2,4-dimethyloxan-4-ol
CID 67573931
2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14814457
(2S,5S,8S,9S)-2-(azidomethyl)-8,9-dimethyl-1,7-dioxaspiro[4.4]nonane
CID 125450249

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane?
The IUPAC name of 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane (CID 142311739) is 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane.
What is the SMILES notation for 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane?
The canonical SMILES for 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane is CC.CC1OCCC2(CO2)C1C.
What is the InChIKey of 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane?
The InChIKey is BZFBZLMITWKYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C2H6/c1-6-7(2)9-4-3-8(6)5-10-8;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane?
4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane is sourced from PubChem (CID 142311739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).