4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane

C10H16O2 — CID 12513636

IUPAC4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCC1(C)OC2C3CCC(C3)C2O1
InChIInChI=1S/C10H16O2/c1-10(2)11-8-6-3-4-7(5-6)9(8)12-10/h6-9H,3-5H2,1-2H3
InChIKeyJGZIHBIYBQJDMR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds

About 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane

4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane (PubChem CID 12513636) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
PubChem CID12513636
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCC1(C)OC2C3CCC(C3)C2O1
InChIInChI=1S/C10H16O2/c1-10(2)11-8-6-3-4-7(5-6)9(8)12-10/h6-9H,3-5H2,1-2H3
InChIKeyJGZIHBIYBQJDMR-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The IUPAC name of 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane (CID 12513636) is 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane is CC1(C)OC2C3CCC(C3)C2O1.
What is the InChIKey of 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The InChIKey is JGZIHBIYBQJDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2)11-8-6-3-4-7(5-6)9(8)12-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane has a molecular weight of 168.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 12513636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).