7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane

C15H28O2 — CID 130396664

IUPAC7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
SMILESCC(C)(C)C1CC2(CC1C(C)(C)C)OCCO2
InChIInChI=1S/C15H28O2/c1-13(2,3)11-9-15(16-7-8-17-15)10-12(11)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyFYFWOFPQBSABLI-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.85
Rot. Bonds

About 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane

7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 130396664) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
PubChem CID130396664
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
SMILESCC(C)(C)C1CC2(CC1C(C)(C)C)OCCO2
InChIInChI=1S/C15H28O2/c1-13(2,3)11-9-15(16-7-8-17-15)10-12(11)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyFYFWOFPQBSABLI-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-ditert-butyl-1,4-dioxaspiro[4.5]decane
CID 20747800
2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
(7S,8R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 121001600
2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
CID 171768926
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane
CID 93482217
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 71335460
[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol
CID 13089485
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 94037522
(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
CID 167145522
(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]
CID 11085008

Frequently Asked Questions

What is the IUPAC name of 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane (CID 130396664) is 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane is CC(C)(C)C1CC2(CC1C(C)(C)C)OCCO2.
What is the InChIKey of 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is FYFWOFPQBSABLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2,3)11-9-15(16-7-8-17-15)10-12(11)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 240.39 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 130396664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).