(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one

C10H16O2 — CID 15830421

IUPAC(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one
SMILESC/C1=C/[C@@H](C)[C@@H](C)C(=O)CCO1
InChIInChI=1S/C10H16O2/c1-7-6-8(2)12-5-4-10(11)9(7)3/h6-7,9H,4-5H2,1-3H3/b8-6-/t7-,9-/m1/s1
InChIKeyCLKCUSVJHLHUIE-IDJYNPRVSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds

About (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one

(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one (PubChem CID 15830421) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one.

Molecular Properties

Compound Name(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one
PubChem CID15830421
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one
SMILESC/C1=C/[C@@H](C)[C@@H](C)C(=O)CCO1
InChIInChI=1S/C10H16O2/c1-7-6-8(2)12-5-4-10(11)9(7)3/h6-7,9H,4-5H2,1-3H3/b8-6-/t7-,9-/m1/s1
InChIKeyCLKCUSVJHLHUIE-IDJYNPRVSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one?
The IUPAC name of (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one (CID 15830421) is (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one.
What is the SMILES notation for (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one?
The canonical SMILES for (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one is C/C1=C/[C@@H](C)[C@@H](C)C(=O)CCO1.
What is the InChIKey of (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one?
The InChIKey is CLKCUSVJHLHUIE-IDJYNPRVSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-6-8(2)12-5-4-10(11)9(7)3/h6-7,9H,4-5H2,1-3H3/b8-6-/t7-,9-/m1/s1.
What are the key properties of (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one?
(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one is sourced from PubChem (CID 15830421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).