(5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol

C14H26O3 — CID 24977960

IUPAC(5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol
SMILESCCOC(C/C(C)=C/C(O)C=C(C)C)OCC
InChIInChI=1S/C14H26O3/c1-6-16-14(17-7-2)10-12(5)9-13(15)8-11(3)4/h8-9,13-15H,6-7,10H2,1-5H3/b12-9+
InChIKeyMABWIBQNHMQKJM-FMIVXFBMSA-N
MW242.36 g/mol
LogP3.05
Rot. Bonds8

About (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol

(5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol (PubChem CID 24977960) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol.

Molecular Properties

Compound Name(5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol
PubChem CID24977960
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol
SMILESCCOC(C/C(C)=C/C(O)C=C(C)C)OCC
InChIInChI=1S/C14H26O3/c1-6-16-14(17-7-2)10-12(5)9-13(15)8-11(3)4/h8-9,13-15H,6-7,10H2,1-5H3/b12-9+
InChIKeyMABWIBQNHMQKJM-FMIVXFBMSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
CID 11062800
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396
(E)-2-ethyl-5,5-dimethoxypent-2-en-1-ol
CID 16050150
(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-ol
CID 60153429
1,1-Diathoxy-4-hydroxy-2-penten
CID 85393239
(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
CID 134922294
(Z)-6,6-diethoxy-4-methylhex-3-en-2-ol
CID 5324028
(E)-6,6-diethoxy-4-methylhex-3-en-2-ol
CID 5324029
(E,2R)-6,6-diethoxy-4-methylhex-3-en-2-ol
CID 15939107
(E)-8,8-diethoxy-6-methyl-3-methylideneoct-5-en-4-ol
CID 101945598
(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol
CID 15225087

Frequently Asked Questions

What is the IUPAC name of (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol?
The IUPAC name of (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol (CID 24977960) is (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol.
What is the SMILES notation for (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol?
The canonical SMILES for (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol is CCOC(C/C(C)=C/C(O)C=C(C)C)OCC.
What is the InChIKey of (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol?
The InChIKey is MABWIBQNHMQKJM-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-16-14(17-7-2)10-12(5)9-13(15)8-11(3)4/h8-9,13-15H,6-7,10H2,1-5H3/b12-9+.
What are the key properties of (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol?
(5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol has a molecular weight of 242.36 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-8,8-diethoxy-2,6-dimethylocta-2,5-dien-4-ol is sourced from PubChem (CID 24977960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).