methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate

C19H26O4 — CID 164669561

IUPACmethyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate
SMILESC=CC(=O)OCCCC(Cc1c(C)cc(C)cc1C)C(=O)OC
InChIInChI=1S/C19H26O4/c1-6-18(20)23-9-7-8-16(19(21)22-5)12-17-14(3)10-13(2)11-15(17)4/h6,10-11,16H,1,7-9,12H2,2-5H3
InChIKeyIZHWHNVWOCNHAP-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.45
Rot. Bonds8

About methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate

methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate (PubChem CID 164669561) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate.

Molecular Properties

Compound Namemethyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate
PubChem CID164669561
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Namemethyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate
SMILESC=CC(=O)OCCCC(Cc1c(C)cc(C)cc1C)C(=O)OC
InChIInChI=1S/C19H26O4/c1-6-18(20)23-9-7-8-16(19(21)22-5)12-17-14(3)10-13(2)11-15(17)4/h6,10-11,16H,1,7-9,12H2,2-5H3
InChIKeyIZHWHNVWOCNHAP-UHFFFAOYSA-N
XLogP3.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate?
The IUPAC name of methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate (CID 164669561) is methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate.
What is the SMILES notation for methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate?
The canonical SMILES for methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate is C=CC(=O)OCCCC(Cc1c(C)cc(C)cc1C)C(=O)OC.
What is the InChIKey of methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate?
The InChIKey is IZHWHNVWOCNHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-6-18(20)23-9-7-8-16(19(21)22-5)12-17-14(3)10-13(2)11-15(17)4/h6,10-11,16H,1,7-9,12H2,2-5H3.
What are the key properties of methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate?
methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate has a molecular weight of 318.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-prop-2-enoyloxy-2-[(2,4,6-trimethylphenyl)methyl]pentanoate is sourced from PubChem (CID 164669561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).