(3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one

C15H24O3 — CID 134961743

IUPAC(3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one
SMILESCCC1C[C@@]2(CC)OC(=O)[C@@]3(CC)C(OC)C1C23
InChIInChI=1S/C15H24O3/c1-5-9-8-14(6-2)11-10(9)12(17-4)15(11,7-3)13(16)18-14/h9-12H,5-8H2,1-4H3/t9?,10?,11?,12?,14-,15-/m1/s1
InChIKeySLRNEDDHMWPEFK-FFBFRKHDSA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds4

About (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one

(3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one (PubChem CID 134961743) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one.

Molecular Properties

Compound Name(3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one
PubChem CID134961743
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one
SMILESCCC1C[C@@]2(CC)OC(=O)[C@@]3(CC)C(OC)C1C23
InChIInChI=1S/C15H24O3/c1-5-9-8-14(6-2)11-10(9)12(17-4)15(11,7-3)13(16)18-14/h9-12H,5-8H2,1-4H3/t9?,10?,11?,12?,14-,15-/m1/s1
InChIKeySLRNEDDHMWPEFK-FFBFRKHDSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one?
The IUPAC name of (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one (CID 134961743) is (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one.
What is the SMILES notation for (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one?
The canonical SMILES for (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one is CCC1C[C@@]2(CC)OC(=O)[C@@]3(CC)C(OC)C1C23.
What is the InChIKey of (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one?
The InChIKey is SLRNEDDHMWPEFK-FFBFRKHDSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-9-8-14(6-2)11-10(9)12(17-4)15(11,7-3)13(16)18-14/h9-12H,5-8H2,1-4H3/t9?,10?,11?,12?,14-,15-/m1/s1.
What are the key properties of (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one?
(3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one has a molecular weight of 252.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,6,8-triethyl-2-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one is sourced from PubChem (CID 134961743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).