8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane

C17H32O2 — CID 137483062

IUPAC8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCCC1(C(C)C)CC2(CCC1C(C)(C)C)OCCO2
InChIInChI=1S/C17H32O2/c1-7-16(13(2)3)12-17(18-10-11-19-17)9-8-14(16)15(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyZXTANPSBBQQKGF-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.63
Rot. Bonds2

About 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane

8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 137483062) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane
PubChem CID137483062
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane
SMILESCCC1(C(C)C)CC2(CCC1C(C)(C)C)OCCO2
InChIInChI=1S/C17H32O2/c1-7-16(13(2)3)12-17(18-10-11-19-17)9-8-14(16)15(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyZXTANPSBBQQKGF-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butyl-1-ethylcyclononyl)ethanamine
CID 155042736
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
7,8-ditert-butyl-1,4-dioxaspiro[4.5]decane
CID 20747800
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
CID 66178779
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
(7S,8R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 121001600
N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103460691
N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 113454913
(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]
CID 125482825
8-propan-2-ylsulfanyl-1,4-dioxaspiro[4.5]decane
CID 175668782
decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
CID 162007927

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane (CID 137483062) is 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane is CCC1(C(C)C)CC2(CCC1C(C)(C)C)OCCO2.
What is the InChIKey of 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is ZXTANPSBBQQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-7-16(13(2)3)12-17(18-10-11-19-17)9-8-14(16)15(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane?
8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane has a molecular weight of 268.44 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 137483062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).