(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane

C13H24O2 — CID 59163670

IUPAC(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
SMILESC=CCO[C@H]1OC(CC)[C@H](C)C(C)[C@H]1C
InChIInChI=1S/C13H24O2/c1-6-8-14-13-11(5)9(3)10(4)12(7-2)15-13/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11-,12?,13+/m1/s1
InChIKeyZXIHVHRLUMCMJZ-HDPSNQDDSA-N
MW212.33 g/mol
LogP3.23
Rot. Bonds4

About (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane

(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane (PubChem CID 59163670) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
PubChem CID59163670
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
SMILESC=CCO[C@H]1OC(CC)[C@H](C)C(C)[C@H]1C
InChIInChI=1S/C13H24O2/c1-6-8-14-13-11(5)9(3)10(4)12(7-2)15-13/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11-,12?,13+/m1/s1
InChIKeyZXIHVHRLUMCMJZ-HDPSNQDDSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane 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 (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The IUPAC name of (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane (CID 59163670) is (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane.
What is the SMILES notation for (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The canonical SMILES for (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane is C=CCO[C@H]1OC(CC)[C@H](C)C(C)[C@H]1C.
What is the InChIKey of (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The InChIKey is ZXIHVHRLUMCMJZ-HDPSNQDDSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-8-14-13-11(5)9(3)10(4)12(7-2)15-13/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11-,12?,13+/m1/s1.
What are the key properties of (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane has a molecular weight of 212.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane is sourced from PubChem (CID 59163670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).