(4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane

C10H18O2 — CID 134860064

IUPAC(4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane
SMILESC=CC[C@@H]1C[C@@H](C)OC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-6-9-7-8(2)11-10(3,4)12-9/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1
InChIKeyTWLYDZJJNLMCAV-RKDXNWHRSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds2

About (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane

(4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane (PubChem CID 134860064) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane
PubChem CID134860064
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane
SMILESC=CC[C@@H]1C[C@@H](C)OC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-6-9-7-8(2)11-10(3,4)12-9/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1
InChIKeyTWLYDZJJNLMCAV-RKDXNWHRSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane 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 (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane?
The IUPAC name of (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane (CID 134860064) is (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane?
The canonical SMILES for (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane is C=CC[C@@H]1C[C@@H](C)OC(C)(C)O1.
What is the InChIKey of (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane?
The InChIKey is TWLYDZJJNLMCAV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-9-7-8(2)11-10(3,4)12-9/h5,8-9H,1,6-7H2,2-4H3/t8-,9-/m1/s1.
What are the key properties of (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane?
(4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 134860064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).