2-methyl-1,7-dioxaspiro[5.5]undecane

C10H18O2 — CID 12705588

IUPAC2-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCC1CCCC2(CCCCO2)O1
InChIInChI=1S/C10H18O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h9H,2-8H2,1H3
InChIKeySXANEOXSBPWLFG-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.47
Rot. Bonds

About 2-methyl-1,7-dioxaspiro[5.5]undecane

2-methyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 12705588) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name2-methyl-1,7-dioxaspiro[5.5]undecane
PubChem CID12705588
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-1,7-dioxaspiro[5.5]undecane
SMILESCC1CCCC2(CCCCO2)O1
InChIInChI=1S/C10H18O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h9H,2-8H2,1H3
InChIKeySXANEOXSBPWLFG-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Olean
CID 67437
7-Methyl-1,6-dioxaspiro(4.5)decane
CID 11116296
2-Hexyl-2,4-dimethyl-1,3-dioxane
CID 22718
2-Methyl-1,6-dioxaspiro(4.5)decane
CID 568216
2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 14271012
8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
CID 14271034
2-Ethyl-7-methyl-1,6-dioxaspiro[4.5]decane
CID 15613616
(5S,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
CID 155085
(5R,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
CID 12571167
7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 14271033
4-Hydroxy-1,7-dioxaspiro(5.5)undecane
CID 576022
2-Methyl-1,7-dioxaspiro[5.6]dodecane
CID 14729907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of 2-methyl-1,7-dioxaspiro[5.5]undecane (CID 12705588) is 2-methyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for 2-methyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for 2-methyl-1,7-dioxaspiro[5.5]undecane is CC1CCCC2(CCCCO2)O1.
What is the InChIKey of 2-methyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is SXANEOXSBPWLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-5-4-7-10(12-9)6-2-3-8-11-10/h9H,2-8H2,1H3.
What are the key properties of 2-methyl-1,7-dioxaspiro[5.5]undecane?
2-methyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 170.25 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 12705588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).