8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane

C13H24O2 — CID 163456657

IUPAC8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane
SMILESCCC(C)C1CCC2(CC1)OCC(C)O2
InChIInChI=1S/C13H24O2/c1-4-10(2)12-5-7-13(8-6-12)14-9-11(3)15-13/h10-12H,4-9H2,1-3H3
InChIKeyBLBQINCRSMYMTN-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.35
Rot. Bonds2

About 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane

8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 163456657) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID163456657
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane
SMILESCCC(C)C1CCC2(CC1)OCC(C)O2
InChIInChI=1S/C13H24O2/c1-4-10(2)12-5-7-13(8-6-12)14-9-11(3)15-13/h10-12H,4-9H2,1-3H3
InChIKeyBLBQINCRSMYMTN-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398
3-butan-2-yl-1,5,9-trioxaspiro[5.5]undecane
CID 70895234
1-butan-2-yl-4-methylcyclohexane
CID 20676481
3-methyl-1,4-dioxaspiro[4.5]decan-8-one
CID 23170968
3-butan-2-yloxolane;ethane
CID 143988733
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
CID 177138438
5-butan-2-yl-2-ethyl-2-methyl-1,3-dioxane
CID 89076533
butan-2-ylcyclohexane;ethane
CID 143005290
1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97082037

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane (CID 163456657) is 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane is CCC(C)C1CCC2(CC1)OCC(C)O2.
What is the InChIKey of 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is BLBQINCRSMYMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-10(2)12-5-7-13(8-6-12)14-9-11(3)15-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane?
8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 212.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-3-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 163456657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).