7-tert-butyl-1,4-dioxaspiro[4.5]decane

C12H22O2 — CID 56841677

IUPAC7-tert-butyl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)(C)C1CCCC2(C1)OCCO2
InChIInChI=1S/C12H22O2/c1-11(2,3)10-5-4-6-12(9-10)13-7-8-14-12/h10H,4-9H2,1-3H3
InChIKeyNPSDJGXZMLTNLN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds

About 7-tert-butyl-1,4-dioxaspiro[4.5]decane

7-tert-butyl-1,4-dioxaspiro[4.5]decane (PubChem CID 56841677) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 7-tert-butyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-tert-butyl-1,4-dioxaspiro[4.5]decane
PubChem CID56841677
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name7-tert-butyl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)(C)C1CCCC2(C1)OCCO2
InChIInChI=1S/C12H22O2/c1-11(2,3)10-5-4-6-12(9-10)13-7-8-14-12/h10H,4-9H2,1-3H3
InChIKeyNPSDJGXZMLTNLN-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-tert-butyl-1,4-dioxaspiro[4.5]decane (CID 56841677) is 7-tert-butyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-tert-butyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-tert-butyl-1,4-dioxaspiro[4.5]decane is CC(C)(C)C1CCCC2(C1)OCCO2.
What is the InChIKey of 7-tert-butyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is NPSDJGXZMLTNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2,3)10-5-4-6-12(9-10)13-7-8-14-12/h10H,4-9H2,1-3H3.
What are the key properties of 7-tert-butyl-1,4-dioxaspiro[4.5]decane?
7-tert-butyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 198.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 56841677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).