[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate

C15H24O6 — CID 15700056

IUPAC[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC([C@@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H24O6/c1-9(2)13(16)19-12(10-7-17-14(3,4)20-10)11-8-18-15(5,6)21-11/h10-12H,1,7-8H2,2-6H3/t10-,11+,12?
InChIKeyDPKAMABLFBOADL-FOSCPWQOSA-N
MW300.35 g/mol
LogP1.78
Rot. Bonds4

About [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate

[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate (PubChem CID 15700056) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate
PubChem CID15700056
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC([C@@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H24O6/c1-9(2)13(16)19-12(10-7-17-14(3,4)20-10)11-8-18-15(5,6)21-11/h10-12H,1,7-8H2,2-6H3/t10-,11+,12?
InChIKeyDPKAMABLFBOADL-FOSCPWQOSA-N
XLogP1.78
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate?
The IUPAC name of [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate (CID 15700056) is [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate?
The canonical SMILES for [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC([C@@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1.
What is the InChIKey of [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate?
The InChIKey is DPKAMABLFBOADL-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H24O6/c1-9(2)13(16)19-12(10-7-17-14(3,4)20-10)11-8-18-15(5,6)21-11/h10-12H,1,7-8H2,2-6H3/t10-,11+,12?.
What are the key properties of [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate?
[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 15700056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).