[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate

C15H24O6 — CID 15700054

IUPAC[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H24O6/c1-9(2)13(16)17-7-10-12(21-15(5,6)20-10)11-8-18-14(3,4)19-11/h10-12H,1,7-8H2,2-6H3/t10-,11+,12+/m1/s1
InChIKeyBZPHQDPQKAXUNB-WOPDTQHZSA-N
MW300.35 g/mol
LogP1.78
Rot. Bonds4

About [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate

[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate (PubChem CID 15700054) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
PubChem CID15700054
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H24O6/c1-9(2)13(16)17-7-10-12(21-15(5,6)20-10)11-8-18-14(3,4)19-11/h10-12H,1,7-8H2,2-6H3/t10-,11+,12+/m1/s1
InChIKeyBZPHQDPQKAXUNB-WOPDTQHZSA-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,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate (CID 15700054) is [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate?
The InChIKey is BZPHQDPQKAXUNB-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H24O6/c1-9(2)13(16)17-7-10-12(21-15(5,6)20-10)11-8-18-14(3,4)19-11/h10-12H,1,7-8H2,2-6H3/t10-,11+,12+/m1/s1.
What are the key properties of [(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate?
[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-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,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 15700054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).