ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate

C19H32O6 — CID 11142837

IUPACethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCCOC(=O)C=C([C@@H]1COC(CC)(CC)O1)[C@@H]1COC(CC)(CC)O1
InChIInChI=1S/C19H32O6/c1-6-18(7-2)22-12-15(24-18)14(11-17(20)21-10-5)16-13-23-19(8-3,9-4)25-16/h11,15-16H,6-10,12-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyXAYDKRGTJHDKRA-HOTGVXAUSA-N
MW356.46 g/mol
LogP3.34
Rot. Bonds8

About ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate

ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate (PubChem CID 11142837) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate
PubChem CID11142837
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Nameethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCCOC(=O)C=C([C@@H]1COC(CC)(CC)O1)[C@@H]1COC(CC)(CC)O1
InChIInChI=1S/C19H32O6/c1-6-18(7-2)22-12-15(24-18)14(11-17(20)21-10-5)16-13-23-19(8-3,9-4)25-16/h11,15-16H,6-10,12-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyXAYDKRGTJHDKRA-HOTGVXAUSA-N
XLogP3.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.34
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 ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The IUPAC name of ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate (CID 11142837) is ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate.
What is the SMILES notation for ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The canonical SMILES for ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate is CCOC(=O)C=C([C@@H]1COC(CC)(CC)O1)[C@@H]1COC(CC)(CC)O1.
What is the InChIKey of ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The InChIKey is XAYDKRGTJHDKRA-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H32O6/c1-6-18(7-2)22-12-15(24-18)14(11-17(20)21-10-5)16-13-23-19(8-3,9-4)25-16/h11,15-16H,6-10,12-13H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate?
ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate has a molecular weight of 356.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate is sourced from PubChem (CID 11142837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).