(3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione

C18H20O4 — CID 135011837

IUPAC(3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione
SMILESC=C1OC(=O)/C(=C(O)/C(C)=C/C=C/C(C)=C/C(C)=C/C)C1=O
InChIInChI=1S/C18H20O4/c1-6-11(2)10-12(3)8-7-9-13(4)16(19)15-17(20)14(5)22-18(15)21/h6-10,19H,5H2,1-4H3/b8-7+,11-6+,12-10+,13-9+,16-15-
InChIKeyLMVFCUKXASADJV-GRVUFKPESA-N
MW300.35 g/mol
LogP3.85
Rot. Bonds4

About (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione

(3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione (PubChem CID 135011837) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione
PubChem CID135011837
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione
SMILESC=C1OC(=O)/C(=C(O)/C(C)=C/C=C/C(C)=C/C(C)=C/C)C1=O
InChIInChI=1S/C18H20O4/c1-6-11(2)10-12(3)8-7-9-13(4)16(19)15-17(20)14(5)22-18(15)21/h6-10,19H,5H2,1-4H3/b8-7+,11-6+,12-10+,13-9+,16-15-
InChIKeyLMVFCUKXASADJV-GRVUFKPESA-N
XLogP3.85
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione?
The IUPAC name of (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione (CID 135011837) is (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione.
What is the SMILES notation for (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione?
The canonical SMILES for (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione is C=C1OC(=O)/C(=C(O)/C(C)=C/C=C/C(C)=C/C(C)=C/C)C1=O.
What is the InChIKey of (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione?
The InChIKey is LMVFCUKXASADJV-GRVUFKPESA-N. The full InChI is InChI=1S/C18H20O4/c1-6-11(2)10-12(3)8-7-9-13(4)16(19)15-17(20)14(5)22-18(15)21/h6-10,19H,5H2,1-4H3/b8-7+,11-6+,12-10+,13-9+,16-15-.
What are the key properties of (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione?
(3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione has a molecular weight of 300.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E,4E,6E,8E)-1-hydroxy-2,6,8-trimethyldeca-2,4,6,8-tetraenylidene]-5-methylideneoxolane-2,4-dione is sourced from PubChem (CID 135011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).