8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane

C14H26O2 — CID 6454394

IUPAC8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane
SMILESCC1OC2(CCC(C(C)(C)C)CC2)OC1C
InChIInChI=1S/C14H26O2/c1-10-11(2)16-14(15-10)8-6-12(7-9-14)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyRTRJMEYMKAXBNK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.74
Rot. Bonds

About 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane

8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane (PubChem CID 6454394) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane
PubChem CID6454394
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane
SMILESCC1OC2(CCC(C(C)(C)C)CC2)OC1C
InChIInChI=1S/C14H26O2/c1-10-11(2)16-14(15-10)8-6-12(7-9-14)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyRTRJMEYMKAXBNK-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane (CID 6454394) is 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane is CC1OC2(CCC(C(C)(C)C)CC2)OC1C.
What is the InChIKey of 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is RTRJMEYMKAXBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10-11(2)16-14(15-10)8-6-12(7-9-14)13(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane?
8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 226.36 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2,3-dimethyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 6454394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).