(3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol

C17H28O2 — CID 66524676

IUPAC(3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol
SMILESCCOC#CC(O)(/C(C)=C/C(C)C)/C(C)=C/C(C)C
InChIInChI=1S/C17H28O2/c1-8-19-10-9-17(18,15(6)11-13(2)3)16(7)12-14(4)5/h11-14,18H,8H2,1-7H3/b15-11+,16-12+
InChIKeyVCSWHRAPVNAHLO-JOBJLJCHSA-N
MW264.41 g/mol
LogP3.92
Rot. Bonds5

About (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol

(3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol (PubChem CID 66524676) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol.

Molecular Properties

Compound Name(3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol
PubChem CID66524676
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol
SMILESCCOC#CC(O)(/C(C)=C/C(C)C)/C(C)=C/C(C)C
InChIInChI=1S/C17H28O2/c1-8-19-10-9-17(18,15(6)11-13(2)3)16(7)12-14(4)5/h11-14,18H,8H2,1-7H3/b15-11+,16-12+
InChIKeyVCSWHRAPVNAHLO-JOBJLJCHSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol?
The IUPAC name of (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol (CID 66524676) is (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol.
What is the SMILES notation for (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol?
The canonical SMILES for (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol is CCOC#CC(O)(/C(C)=C/C(C)C)/C(C)=C/C(C)C.
What is the InChIKey of (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol?
The InChIKey is VCSWHRAPVNAHLO-JOBJLJCHSA-N. The full InChI is InChI=1S/C17H28O2/c1-8-19-10-9-17(18,15(6)11-13(2)3)16(7)12-14(4)5/h11-14,18H,8H2,1-7H3/b15-11+,16-12+.
What are the key properties of (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol?
(3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol has a molecular weight of 264.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-5-(2-ethoxyethynyl)-2,4,6,8-tetramethylnona-3,6-dien-5-ol is sourced from PubChem (CID 66524676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).