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

C12H22O3 — CID 89175590

IUPAC(2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane
SMILESC=CCO[C@H]1[C@H](C)OC(C)C[C@@]1(C)OC
InChIInChI=1S/C12H22O3/c1-6-7-14-11-10(3)15-9(2)8-12(11,4)13-5/h6,9-11H,1,7-8H2,2-5H3/t9?,10-,11-,12+/m0/s1
InChIKeyUGRLACQPGCGMSP-HSTDOPHLSA-N
MW214.30 g/mol
LogP2.16
Rot. Bonds4

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

(2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane (PubChem CID 89175590) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane
PubChem CID89175590
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane
SMILESC=CCO[C@H]1[C@H](C)OC(C)C[C@@]1(C)OC
InChIInChI=1S/C12H22O3/c1-6-7-14-11-10(3)15-9(2)8-12(11,4)13-5/h6,9-11H,1,7-8H2,2-5H3/t9?,10-,11-,12+/m0/s1
InChIKeyUGRLACQPGCGMSP-HSTDOPHLSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-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 (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane?
The IUPAC name of (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane (CID 89175590) is (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane.
What is the SMILES notation for (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane?
The canonical SMILES for (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane is C=CCO[C@H]1[C@H](C)OC(C)C[C@@]1(C)OC.
What is the InChIKey of (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane?
The InChIKey is UGRLACQPGCGMSP-HSTDOPHLSA-N. The full InChI is InChI=1S/C12H22O3/c1-6-7-14-11-10(3)15-9(2)8-12(11,4)13-5/h6,9-11H,1,7-8H2,2-5H3/t9?,10-,11-,12+/m0/s1.
What are the key properties of (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane?
(2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane has a molecular weight of 214.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-methoxy-2,4,6-trimethyl-3-prop-2-enoxyoxane is sourced from PubChem (CID 89175590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).