(2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate

C14H22O5 — CID 118487641

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate
SMILESC=CC(C)(C)CC(C)(C)C(=O)OCC1COC(=O)O1
InChIInChI=1S/C14H22O5/c1-6-13(2,3)9-14(4,5)11(15)17-7-10-8-18-12(16)19-10/h6,10H,1,7-9H2,2-5H3
InChIKeyNWBJRLFHGFEOLN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.69
Rot. Bonds6

About (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate

(2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate (PubChem CID 118487641) has the molecular formula C14H22O5 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate
PubChem CID118487641
Molecular FormulaC14H22O5
Molecular Weight270.33 g/mol
Exact Mass270.15
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate
SMILESC=CC(C)(C)CC(C)(C)C(=O)OCC1COC(=O)O1
InChIInChI=1S/C14H22O5/c1-6-13(2,3)9-14(4,5)11(15)17-7-10-8-18-12(16)19-10/h6,10H,1,7-9H2,2-5H3
InChIKeyNWBJRLFHGFEOLN-UHFFFAOYSA-N
XLogP2.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate (CID 118487641) is (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate is C=CC(C)(C)CC(C)(C)C(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate?
The InChIKey is NWBJRLFHGFEOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-13(2,3)9-14(4,5)11(15)17-7-10-8-18-12(16)19-10/h6,10H,1,7-9H2,2-5H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate?
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate has a molecular weight of 270.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate is sourced from PubChem (CID 118487641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).