(4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol

C15H28O4 — CID 5365388

IUPAC(4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol
SMILESCOCCOCOC(C)C/C=C/C=C/C(O)C(C)C
InChIInChI=1S/C15H28O4/c1-13(2)15(16)9-7-5-6-8-14(3)19-12-18-11-10-17-4/h5-7,9,13-16H,8,10-12H2,1-4H3/b6-5+,9-7+
InChIKeyPTXNALSGAFCMMF-SBIWHPGTSA-N
MW272.38 g/mol
LogP2.53
Rot. Bonds11

About (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol

(4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol (PubChem CID 5365388) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol.

Molecular Properties

Compound Name(4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol
PubChem CID5365388
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol
SMILESCOCCOCOC(C)C/C=C/C=C/C(O)C(C)C
InChIInChI=1S/C15H28O4/c1-13(2)15(16)9-7-5-6-8-14(3)19-12-18-11-10-17-4/h5-7,9,13-16H,8,10-12H2,1-4H3/b6-5+,9-7+
InChIKeyPTXNALSGAFCMMF-SBIWHPGTSA-N
XLogP2.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.53
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Decen-4-yn-3-ol, 2-methyl-9-(2-methoxyethoxymethoxy)-, (E)-
CID 5365390
(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol
CID 11310196
(E,5S)-5-(2,2-diethoxyethoxy)hex-2-en-1-ol
CID 90198624
(3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol
CID 91504657
(4S,5Z,7R)-7-(2-methoxyethoxymethoxymethyl)-5-methylnona-1,5-dien-4-ol
CID 118123382
5-(2,2-Diethoxyethoxy)hex-2-en-1-ol
CID 123778862
(5S)-5-(2,2-diethoxyethoxy)hex-2-en-1-ol
CID 123915036
(2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol
CID 10083866
(1E,3Z,5S)-5-[(2S,3R,6S)-2-ethoxy-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]penta-1,3-diene-1,5-diol
CID 10658725
(E)-5-(2-methoxyethoxymethoxy)hex-2-en-1-ol
CID 11356172
2-(2-Methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol
CID 14489257
(3R)-2-(2-methoxyethoxymethoxy)-2,5-dimethylhex-4-en-3-ol
CID 14489258

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol?
The IUPAC name of (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol (CID 5365388) is (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol.
What is the SMILES notation for (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol?
The canonical SMILES for (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol is COCCOCOC(C)C/C=C/C=C/C(O)C(C)C.
What is the InChIKey of (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol?
The InChIKey is PTXNALSGAFCMMF-SBIWHPGTSA-N. The full InChI is InChI=1S/C15H28O4/c1-13(2)15(16)9-7-5-6-8-14(3)19-12-18-11-10-17-4/h5-7,9,13-16H,8,10-12H2,1-4H3/b6-5+,9-7+.
What are the key properties of (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol?
(4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol has a molecular weight of 272.38 g/mol, XLogP of 2.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-9-(2-methoxyethoxymethoxy)-2-methyldeca-4,6-dien-3-ol is sourced from PubChem (CID 5365388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).