(4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane

C14H22O2 — CID 11009556

IUPAC(4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane
SMILESC#CC[C@H](C)[C@H]1C[C@@H](CC=C)OC(C)(C)O1
InChIInChI=1S/C14H22O2/c1-6-8-11(3)13-10-12(9-7-2)15-14(4,5)16-13/h1,7,11-13H,2,8-10H2,3-5H3/t11-,12+,13+/m0/s1
InChIKeyRVUNQOSRRRFWGM-YNEHKIRRSA-N
MW222.33 g/mol
LogP3.13
Rot. Bonds4

About (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane

(4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane (PubChem CID 11009556) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane
PubChem CID11009556
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane
SMILESC#CC[C@H](C)[C@H]1C[C@@H](CC=C)OC(C)(C)O1
InChIInChI=1S/C14H22O2/c1-6-8-11(3)13-10-12(9-7-2)15-14(4,5)16-13/h1,7,11-13H,2,8-10H2,3-5H3/t11-,12+,13+/m0/s1
InChIKeyRVUNQOSRRRFWGM-YNEHKIRRSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-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-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane?
The IUPAC name of (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane (CID 11009556) is (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane?
The canonical SMILES for (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane is C#CC[C@H](C)[C@H]1C[C@@H](CC=C)OC(C)(C)O1.
What is the InChIKey of (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane?
The InChIKey is RVUNQOSRRRFWGM-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-8-11(3)13-10-12(9-7-2)15-14(4,5)16-13/h1,7,11-13H,2,8-10H2,3-5H3/t11-,12+,13+/m0/s1.
What are the key properties of (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane?
(4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane has a molecular weight of 222.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2,2-dimethyl-4-[(2S)-pent-4-yn-2-yl]-6-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 11009556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).