(4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane

C16H26O5 — CID 11098551

IUPAC(4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCO[C@@H]([C@@H]1OC(C)(C)O[C@@H]1C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H26O5/c1-7-9-17-13(12-10-18-15(3,4)20-12)14-11(8-2)19-16(5,6)21-14/h7-8,11-14H,1-2,9-10H2,3-6H3/t11-,12-,13-,14-/m1/s1
InChIKeyUBKIWZBJRSLPST-AAVRWANBSA-N
MW298.38 g/mol
LogP2.42
Rot. Bonds6

About (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 11098551) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane
PubChem CID11098551
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name(4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCO[C@@H]([C@@H]1OC(C)(C)O[C@@H]1C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H26O5/c1-7-9-17-13(12-10-18-15(3,4)20-12)14-11(8-2)19-16(5,6)21-14/h7-8,11-14H,1-2,9-10H2,3-6H3/t11-,12-,13-,14-/m1/s1
InChIKeyUBKIWZBJRSLPST-AAVRWANBSA-N
XLogP2.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane 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,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane (CID 11098551) is (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane is C=CCO[C@@H]([C@@H]1OC(C)(C)O[C@@H]1C=C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is UBKIWZBJRSLPST-AAVRWANBSA-N. The full InChI is InChI=1S/C16H26O5/c1-7-9-17-13(12-10-18-15(3,4)20-12)14-11(8-2)19-16(5,6)21-14/h7-8,11-14H,1-2,9-10H2,3-6H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 298.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoxymethyl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11098551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).