5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane

C14H24O2 — CID 173215387

IUPAC5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane
SMILESCCC(C)(C)CC1OC2CC3CC2CC3O1
InChIInChI=1S/C14H24O2/c1-4-14(2,3)8-13-15-11-6-9-5-10(11)7-12(9)16-13/h9-13H,4-8H2,1-3H3
InChIKeyGIUIPRZFWLSGBK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.35
Rot. Bonds3

About 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane

5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane (PubChem CID 173215387) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane.

Molecular Properties

Compound Name5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane
PubChem CID173215387
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane
SMILESCCC(C)(C)CC1OC2CC3CC2CC3O1
InChIInChI=1S/C14H24O2/c1-4-14(2,3)8-13-15-11-6-9-5-10(11)7-12(9)16-13/h9-13H,4-8H2,1-3H3
InChIKeyGIUIPRZFWLSGBK-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane?
The IUPAC name of 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane (CID 173215387) is 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane.
What is the SMILES notation for 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane?
The canonical SMILES for 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane is CCC(C)(C)CC1OC2CC3CC2CC3O1.
What is the InChIKey of 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane?
The InChIKey is GIUIPRZFWLSGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-14(2,3)8-13-15-11-6-9-5-10(11)7-12(9)16-13/h9-13H,4-8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane?
5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane has a molecular weight of 224.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbutyl)-4,6-dioxatricyclo[5.3.0.03,9]decane is sourced from PubChem (CID 173215387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).