(4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane

C19H34O4 — CID 118086128

IUPAC(4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
SMILESC=C[C@@H]1C[C@H](C[C@@H]2C[C@@H](CCCC)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C19H34O4/c1-7-9-10-15-12-17(23-19(5,6)21-15)13-16-11-14(8-2)20-18(3,4)22-16/h8,14-17H,2,7,9-13H2,1,3-6H3/t14-,15-,16-,17+/m1/s1
InChIKeyDDZLMCSURYVZKF-VQHPVUNQSA-N
MW326.48 g/mol
LogP4.57
Rot. Bonds6

About (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane

(4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane (PubChem CID 118086128) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
PubChem CID118086128
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name(4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
SMILESC=C[C@@H]1C[C@H](C[C@@H]2C[C@@H](CCCC)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C19H34O4/c1-7-9-10-15-12-17(23-19(5,6)21-15)13-16-11-14(8-2)20-18(3,4)22-16/h8,14-17H,2,7,9-13H2,1,3-6H3/t14-,15-,16-,17+/m1/s1
InChIKeyDDZLMCSURYVZKF-VQHPVUNQSA-N
XLogP4.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-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,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane?
The IUPAC name of (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane (CID 118086128) is (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane is C=C[C@@H]1C[C@H](C[C@@H]2C[C@@H](CCCC)OC(C)(C)O2)OC(C)(C)O1.
What is the InChIKey of (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane?
The InChIKey is DDZLMCSURYVZKF-VQHPVUNQSA-N. The full InChI is InChI=1S/C19H34O4/c1-7-9-10-15-12-17(23-19(5,6)21-15)13-16-11-14(8-2)20-18(3,4)22-16/h8,14-17H,2,7,9-13H2,1,3-6H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane?
(4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane has a molecular weight of 326.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-butyl-6-[[(4S,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 118086128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).