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

C12H22O2 — CID 93482217

IUPAC(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)(C)[C@@H]1CCCC2(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/t10-/m1/s1
InChIKeyNPSDJGXZMLTNLN-SNVBAGLBSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds

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

(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane (PubChem CID 93482217) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane
PubChem CID93482217
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane
SMILESCC(C)(C)[C@@H]1CCCC2(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/t10-/m1/s1
InChIKeyNPSDJGXZMLTNLN-SNVBAGLBSA-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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Related Compounds

2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
7,8-ditert-butyl-1,4-dioxaspiro[4.5]decane
CID 20747800
2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
CID 171768926
3-tert-butyl-1-methylcyclohexan-1-ol
CID 58395164
(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
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 130396664
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999
7-ethenyl-1,4-dioxaspiro[4.5]decane
CID 69192706
2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine
CID 11287105
(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid
CID 131191391
(12R)-12-tert-butyl-1,4-dioxa-7,10-dithiadispiro[4.0.46.45]tetradecane
CID 838902

Frequently Asked Questions

What is the IUPAC name of (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane (CID 93482217) is (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane is CC(C)(C)[C@@H]1CCCC2(C1)OCCO2.
What is the InChIKey of (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is NPSDJGXZMLTNLN-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane?
(7R)-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 (7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 93482217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).