(E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol

C15H26O4 — CID 5365390

IUPAC(E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol
SMILESCOCCOCOC(C)C/C=C/C#CC(O)C(C)C
InChIInChI=1S/C15H26O4/c1-13(2)15(16)9-7-5-6-8-14(3)19-12-18-11-10-17-4/h5-6,13-16H,8,10-12H2,1-4H3/b6-5+
InChIKeyIZCMEDFAWRGOKA-AATRIKPKSA-N
MW270.37 g/mol
LogP1.98
Rot. Bonds9

About (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol

(E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol (PubChem CID 5365390) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol
PubChem CID5365390
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol
SMILESCOCCOCOC(C)C/C=C/C#CC(O)C(C)C
InChIInChI=1S/C15H26O4/c1-13(2)15(16)9-7-5-6-8-14(3)19-12-18-11-10-17-4/h5-6,13-16H,8,10-12H2,1-4H3/b6-5+
InChIKeyIZCMEDFAWRGOKA-AATRIKPKSA-N
XLogP1.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol?
The IUPAC name of (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol (CID 5365390) is (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol.
What is the SMILES notation for (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol?
The canonical SMILES for (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol is COCCOCOC(C)C/C=C/C#CC(O)C(C)C.
What is the InChIKey of (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol?
The InChIKey is IZCMEDFAWRGOKA-AATRIKPKSA-N. The full InChI is InChI=1S/C15H26O4/c1-13(2)15(16)9-7-5-6-8-14(3)19-12-18-11-10-17-4/h5-6,13-16H,8,10-12H2,1-4H3/b6-5+.
What are the key properties of (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol?
(E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol has a molecular weight of 270.37 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-(2-methoxyethoxymethoxy)-2-methyldec-6-en-4-yn-3-ol is sourced from PubChem (CID 5365390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).