(1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane

C11H20O2 — CID 15282718

IUPAC(1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane
SMILESCC[C@@]12O[C@@H](C)C[C@@](C)(C[C@H]1C)O2
InChIInChI=1S/C11H20O2/c1-5-11-8(2)6-10(4,13-11)7-9(3)12-11/h8-9H,5-7H2,1-4H3/t8-,9+,10-,11+/m1/s1
InChIKeyLOGJGKGBKZOEKZ-YTWAJWBKSA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds1

About (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane

(1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane (PubChem CID 15282718) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane
PubChem CID15282718
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane
SMILESCC[C@@]12O[C@@H](C)C[C@@](C)(C[C@H]1C)O2
InChIInChI=1S/C11H20O2/c1-5-11-8(2)6-10(4,13-11)7-9(3)12-11/h8-9H,5-7H2,1-4H3/t8-,9+,10-,11+/m1/s1
InChIKeyLOGJGKGBKZOEKZ-YTWAJWBKSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane (CID 15282718) is (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane is CC[C@@]12O[C@@H](C)C[C@@](C)(C[C@H]1C)O2.
What is the InChIKey of (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane?
The InChIKey is LOGJGKGBKZOEKZ-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11-8(2)6-10(4,13-11)7-9(3)12-11/h8-9H,5-7H2,1-4H3/t8-,9+,10-,11+/m1/s1.
What are the key properties of (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane?
(1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane has a molecular weight of 184.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R,7R)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 15282718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).