2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane

C15H28O2 — CID 140637445

IUPAC2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane
SMILESCC(C)(C)C1OC2(CCCC2)OC1C(C)(C)C
InChIInChI=1S/C15H28O2/c1-13(2,3)11-12(14(4,5)6)17-15(16-11)9-7-8-10-15/h11-12H,7-10H2,1-6H3
InChIKeyKLSXKVKCMNIVRQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.13
Rot. Bonds

About 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane

2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 140637445) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane
PubChem CID140637445
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane
SMILESCC(C)(C)C1OC2(CCCC2)OC1C(C)(C)C
InChIInChI=1S/C15H28O2/c1-13(2,3)11-12(14(4,5)6)17-15(16-11)9-7-8-10-15/h11-12H,7-10H2,1-6H3
InChIKeyKLSXKVKCMNIVRQ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]
CID 118144685
bis((4S,5R)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane);(4R,5R)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane;(4S,5S)-4,5-ditert-butyl-2,2-dimethyl-1,3-dioxolane;methane
CID 157204706
(2R,3S)-2,3-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane;methane
CID 162111280
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
CID 139093434
CID 139093434
CID 131971311
CID 131971311
(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
CID 89064448
(3aR,4R,5S,6R,7S,7aS)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 125028313
(3aS,4R,5R,6S,7R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 26159467
(4S,5S,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 71315075
(3aS,6R)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 146872901
(2S)-butan-2-amine;[(2R,3R)-3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol
CID 139144987

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane (CID 140637445) is 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane is CC(C)(C)C1OC2(CCCC2)OC1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is KLSXKVKCMNIVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2,3)11-12(14(4,5)6)17-15(16-11)9-7-8-10-15/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane?
2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 240.39 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 140637445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).