6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane

C14H26O2 — CID 155379076

IUPAC6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)CC1CC(C)C2(OCCO2)C(C)C1
InChIInChI=1S/C14H26O2/c1-10(2)7-13-8-11(3)14(12(4)9-13)15-5-6-16-14/h10-13H,5-9H2,1-4H3
InChIKeyXZGRSPKQNJULQJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.46
Rot. Bonds2

About 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane

6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 155379076) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane
PubChem CID155379076
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane
SMILESCC(C)CC1CC(C)C2(OCCO2)C(C)C1
InChIInChI=1S/C14H26O2/c1-10(2)7-13-8-11(3)14(12(4)9-13)15-5-6-16-14/h10-13H,5-9H2,1-4H3
InChIKeyXZGRSPKQNJULQJ-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane (CID 155379076) is 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane is CC(C)CC1CC(C)C2(OCCO2)C(C)C1.
What is the InChIKey of 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is XZGRSPKQNJULQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)7-13-8-11(3)14(12(4)9-13)15-5-6-16-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane?
6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 226.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 155379076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).