7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane

C13H24O2 — CID 14271033

IUPAC7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane
SMILESCCCCC1CCCC2(CCC(C)O2)O1
InChIInChI=1S/C13H24O2/c1-3-4-6-12-7-5-9-13(15-12)10-8-11(2)14-13/h11-12H,3-10H2,1-2H3
InChIKeyYJXRBYWOYOXYFN-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.64
Rot. Bonds3

About 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane

7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane (PubChem CID 14271033) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane
PubChem CID14271033
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane
SMILESCCCCC1CCCC2(CCC(C)O2)O1
InChIInChI=1S/C13H24O2/c1-3-4-6-12-7-5-9-13(15-12)10-8-11(2)14-13/h11-12H,3-10H2,1-2H3
InChIKeyYJXRBYWOYOXYFN-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane?
The IUPAC name of 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane (CID 14271033) is 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane?
The canonical SMILES for 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane is CCCCC1CCCC2(CCC(C)O2)O1.
What is the InChIKey of 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane?
The InChIKey is YJXRBYWOYOXYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-6-12-7-5-9-13(15-12)10-8-11(2)14-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane?
7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane has a molecular weight of 212.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-methyl-1,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 14271033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).