2-tert-butyl-5,8-dioxaspiro[3.4]octane

C10H18O2 — CID 138672396

IUPAC2-tert-butyl-5,8-dioxaspiro[3.4]octane
SMILESCC(C)(C)C1CC2(C1)OCCO2
InChIInChI=1S/C10H18O2/c1-9(2,3)8-6-10(7-8)11-4-5-12-10/h8H,4-7H2,1-3H3
InChIKeySWHWRFQUSGLAPN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds

About 2-tert-butyl-5,8-dioxaspiro[3.4]octane

2-tert-butyl-5,8-dioxaspiro[3.4]octane (PubChem CID 138672396) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-tert-butyl-5,8-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name2-tert-butyl-5,8-dioxaspiro[3.4]octane
PubChem CID138672396
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-tert-butyl-5,8-dioxaspiro[3.4]octane
SMILESCC(C)(C)C1CC2(C1)OCCO2
InChIInChI=1S/C10H18O2/c1-9(2,3)8-6-10(7-8)11-4-5-12-10/h8H,4-7H2,1-3H3
InChIKeySWHWRFQUSGLAPN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
CID 171768926
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 130396664
(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane
CID 93482217
2,6-ditert-butylspiro[3.3]heptane
CID 140647096
7,8-ditert-butyl-1,4-dioxaspiro[4.5]decane
CID 20747800
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
(7S,8R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 121001600
7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62090199
(4S)-4-tert-butyl-2,2-dimethyloxolane
CID 59883974
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
3-tert-butyl-9,9-dimethyl-7,8,12-trioxaspiro[5.6]dodecane
CID 101355186
1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,8-dioxaspiro[3.4]octane?
The IUPAC name of 2-tert-butyl-5,8-dioxaspiro[3.4]octane (CID 138672396) is 2-tert-butyl-5,8-dioxaspiro[3.4]octane.
What is the SMILES notation for 2-tert-butyl-5,8-dioxaspiro[3.4]octane?
The canonical SMILES for 2-tert-butyl-5,8-dioxaspiro[3.4]octane is CC(C)(C)C1CC2(C1)OCCO2.
What is the InChIKey of 2-tert-butyl-5,8-dioxaspiro[3.4]octane?
The InChIKey is SWHWRFQUSGLAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2,3)8-6-10(7-8)11-4-5-12-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5,8-dioxaspiro[3.4]octane?
2-tert-butyl-5,8-dioxaspiro[3.4]octane has a molecular weight of 170.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,8-dioxaspiro[3.4]octane is sourced from PubChem (CID 138672396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).