(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane

C14H24O2 — CID 135037220

IUPAC(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
SMILESCC1CCC[C@H]2OC(C)(C)OC3CCCC132
InChIInChI=1S/C14H24O2/c1-10-6-4-7-11-14(10)9-5-8-12(14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t10?,11-,12?,14?/m1/s1
InChIKeyHTVOJQNACNLIJA-FUWMQMHUSA-N
MW224.34 g/mol
LogP3.50
Rot. Bonds

About (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane

(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane (PubChem CID 135037220) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane.

Molecular Properties

Compound Name(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
PubChem CID135037220
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
SMILESCC1CCC[C@H]2OC(C)(C)OC3CCCC132
InChIInChI=1S/C14H24O2/c1-10-6-4-7-11-14(10)9-5-8-12(14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t10?,11-,12?,14?/m1/s1
InChIKeyHTVOJQNACNLIJA-FUWMQMHUSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane?
The IUPAC name of (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane (CID 135037220) is (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane.
What is the SMILES notation for (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane?
The canonical SMILES for (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane is CC1CCC[C@H]2OC(C)(C)OC3CCCC132.
What is the InChIKey of (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane?
The InChIKey is HTVOJQNACNLIJA-FUWMQMHUSA-N. The full InChI is InChI=1S/C14H24O2/c1-10-6-4-7-11-14(10)9-5-8-12(14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t10?,11-,12?,14?/m1/s1.
What are the key properties of (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane?
(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane has a molecular weight of 224.34 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane is sourced from PubChem (CID 135037220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).