(1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane

C14H24O2 — CID 58310489

IUPAC(1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
SMILESC[C@@H]1CCC2C3C1CCCO[C@H]3OC[C@@H]2C
InChIInChI=1S/C14H24O2/c1-9-5-6-12-10(2)8-16-14-13(12)11(9)4-3-7-15-14/h9-14H,3-8H2,1-2H3/t9-,10+,11?,12?,13?,14+/m1/s1
InChIKeyYIPWSCUOBLRPEU-AQNYVJBLSA-N
MW224.34 g/mol
LogP3.07
Rot. Bonds

About (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane

(1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane (PubChem CID 58310489) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane.

Molecular Properties

Compound Name(1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
PubChem CID58310489
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
SMILESC[C@@H]1CCC2C3C1CCCO[C@H]3OC[C@@H]2C
InChIInChI=1S/C14H24O2/c1-9-5-6-12-10(2)8-16-14-13(12)11(9)4-3-7-15-14/h9-14H,3-8H2,1-2H3/t9-,10+,11?,12?,13?,14+/m1/s1
InChIKeyYIPWSCUOBLRPEU-AQNYVJBLSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The IUPAC name of (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane (CID 58310489) is (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane.
What is the SMILES notation for (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The canonical SMILES for (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane is C[C@@H]1CCC2C3C1CCCO[C@H]3OC[C@@H]2C.
What is the InChIKey of (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The InChIKey is YIPWSCUOBLRPEU-AQNYVJBLSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-5-6-12-10(2)8-16-14-13(12)11(9)4-3-7-15-14/h9-14H,3-8H2,1-2H3/t9-,10+,11?,12?,13?,14+/m1/s1.
What are the key properties of (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
(1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane has a molecular weight of 224.34 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,8R)-4,8-dimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane is sourced from PubChem (CID 58310489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).