6,6-dimethoxyspiro[2.5]octane

C10H18O2 — CID 156888342

IUPAC6,6-dimethoxyspiro[2.5]octane
SMILESCOC1(OC)CCC2(CC2)CC1
InChIInChI=1S/C10H18O2/c1-11-10(12-2)7-5-9(3-4-9)6-8-10/h3-8H2,1-2H3
InChIKeyVYWFBZWQYIXPNU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds2

About 6,6-dimethoxyspiro[2.5]octane

6,6-dimethoxyspiro[2.5]octane (PubChem CID 156888342) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6,6-dimethoxyspiro[2.5]octane.

Molecular Properties

Compound Name6,6-dimethoxyspiro[2.5]octane
PubChem CID156888342
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6,6-dimethoxyspiro[2.5]octane
SMILESCOC1(OC)CCC2(CC2)CC1
InChIInChI=1S/C10H18O2/c1-11-10(12-2)7-5-9(3-4-9)6-8-10/h3-8H2,1-2H3
InChIKeyVYWFBZWQYIXPNU-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Tert-butyl-1,1-dimethoxycyclohexane
CID 10921547
Cyclohexane, 3-(1,1-dimethoxyethyl)-1,1-dimethyl-
CID 14817847
4-Ethylcyclohexanone dimethyl acetal
CID 15185624
1-Methoxyspiro[2.5]octan-1-ol
CID 13086992
(1,1-Dimethoxy-2,2-dimethylpropyl)cyclohexane
CID 18667888
Tert-butyl spiro[2.5]octan-6-yl carbonate
CID 68856404
6-Methoxyspiro[2.5]octane
CID 118394394
3,3-Dimethoxy-2,2,6,6-tetramethyloctane
CID 139690869
1,1-Dimethoxy-4-pentylcyclohexane
CID 139777149
1,1-Dimethoxy-4,4-dimethylcyclohexane
CID 142082604
6-Methoxy-6-methylspiro[2.5]octane
CID 142332928
6-Ethoxy-6-methoxyspiro[2.5]octane
CID 144535072

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxyspiro[2.5]octane?
The IUPAC name of 6,6-dimethoxyspiro[2.5]octane (CID 156888342) is 6,6-dimethoxyspiro[2.5]octane.
What is the SMILES notation for 6,6-dimethoxyspiro[2.5]octane?
The canonical SMILES for 6,6-dimethoxyspiro[2.5]octane is COC1(OC)CCC2(CC2)CC1.
What is the InChIKey of 6,6-dimethoxyspiro[2.5]octane?
The InChIKey is VYWFBZWQYIXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-10(12-2)7-5-9(3-4-9)6-8-10/h3-8H2,1-2H3.
What are the key properties of 6,6-dimethoxyspiro[2.5]octane?
6,6-dimethoxyspiro[2.5]octane has a molecular weight of 170.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxyspiro[2.5]octane is sourced from PubChem (CID 156888342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).