propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate

C19H34O4 — CID 14127781

IUPACpropan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
SMILESCOC(C)(C)C(O)CCC(C)C/C=C/C(C)=C/C(=O)OC(C)C
InChIInChI=1S/C19H34O4/c1-14(2)23-18(21)13-16(4)10-8-9-15(3)11-12-17(20)19(5,6)22-7/h8,10,13-15,17,20H,9,11-12H2,1-7H3/b10-8+,16-13+
InChIKeyAZTBGOWEAIBOCC-ZQHUEGGHSA-N
MW326.48 g/mol
LogP4.03
Rot. Bonds10

About propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate

propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate (PubChem CID 14127781) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate.

Molecular Properties

Compound Namepropan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
PubChem CID14127781
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Namepropan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
SMILESCOC(C)(C)C(O)CCC(C)C/C=C/C(C)=C/C(=O)OC(C)C
InChIInChI=1S/C19H34O4/c1-14(2)23-18(21)13-16(4)10-8-9-15(3)11-12-17(20)19(5,6)22-7/h8,10,13-15,17,20H,9,11-12H2,1-7H3/b10-8+,16-13+
InChIKeyAZTBGOWEAIBOCC-ZQHUEGGHSA-N
XLogP4.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate?
The IUPAC name of propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate (CID 14127781) is propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate.
What is the SMILES notation for propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate?
The canonical SMILES for propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate is COC(C)(C)C(O)CCC(C)C/C=C/C(C)=C/C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate?
The InChIKey is AZTBGOWEAIBOCC-ZQHUEGGHSA-N. The full InChI is InChI=1S/C19H34O4/c1-14(2)23-18(21)13-16(4)10-8-9-15(3)11-12-17(20)19(5,6)22-7/h8,10,13-15,17,20H,9,11-12H2,1-7H3/b10-8+,16-13+.
What are the key properties of propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate?
propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate has a molecular weight of 326.48 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2E,4E)-10-hydroxy-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate is sourced from PubChem (CID 14127781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).