(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane

C18H30O6 — CID 12660650

IUPAC(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCO[C@@H]([C@H](OCC=C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H30O6/c1-7-9-19-15(13-11-21-17(3,4)23-13)16(20-10-8-2)14-12-22-18(5,6)24-14/h7-8,13-16H,1-2,9-12H2,3-6H3/t13-,14-,15-,16-/m1/s1
InChIKeyXFVFLBJRKKLVSH-KLHDSHLOSA-N
MW342.43 g/mol
LogP2.43
Rot. Bonds9

About (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 12660650) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID12660650
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCO[C@@H]([C@H](OCC=C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H30O6/c1-7-9-19-15(13-11-21-17(3,4)23-13)16(20-10-8-2)14-12-22-18(5,6)24-14/h7-8,13-16H,1-2,9-12H2,3-6H3/t13-,14-,15-,16-/m1/s1
InChIKeyXFVFLBJRKKLVSH-KLHDSHLOSA-N
XLogP2.43
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane (CID 12660650) is (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane is C=CCO[C@@H]([C@H](OCC=C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is XFVFLBJRKKLVSH-KLHDSHLOSA-N. The full InChI is InChI=1S/C18H30O6/c1-7-9-19-15(13-11-21-17(3,4)23-13)16(20-10-8-2)14-12-22-18(5,6)24-14/h7-8,13-16H,1-2,9-12H2,3-6H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 342.43 g/mol, XLogP of 2.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-enoxy)ethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 12660650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).