2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one

C16H26O3 — CID 53438608

IUPAC2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one
SMILESCC1(C)C2CCC(CC2)OC(=O)OC2CCC1CC2
InChIInChI=1S/C16H26O3/c1-16(2)11-3-7-13(8-4-11)18-15(17)19-14-9-5-12(16)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyOGFWJQKGJRVECI-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.30
Rot. Bonds

About 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one

2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one (PubChem CID 53438608) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one.

Molecular Properties

Compound Name2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one
PubChem CID53438608
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one
SMILESCC1(C)C2CCC(CC2)OC(=O)OC2CCC1CC2
InChIInChI=1S/C16H26O3/c1-16(2)11-3-7-13(8-4-11)18-15(17)19-14-9-5-12(16)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyOGFWJQKGJRVECI-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one?
The IUPAC name of 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one (CID 53438608) is 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one.
What is the SMILES notation for 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one?
The canonical SMILES for 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one is CC1(C)C2CCC(CC2)OC(=O)OC2CCC1CC2.
What is the InChIKey of 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one?
The InChIKey is OGFWJQKGJRVECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-16(2)11-3-7-13(8-4-11)18-15(17)19-14-9-5-12(16)6-10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one?
2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one has a molecular weight of 266.38 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7,9-dioxatricyclo[8.2.2.23,6]hexadecan-8-one is sourced from PubChem (CID 53438608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).