(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol

C12H22O2 — CID 21079518

IUPAC(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol
SMILESCCOC(C)(C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C12H22O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h6,8-9,13H,5,7,10H2,1-4H3/b9-6+,11-8+
InChIKeySASKOJUDOBWZLP-DNLSTQPZSA-N
MW198.31 g/mol
LogP2.69
Rot. Bonds6

About (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol

(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol (PubChem CID 21079518) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol
PubChem CID21079518
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol
SMILESCCOC(C)(C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C12H22O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h6,8-9,13H,5,7,10H2,1-4H3/b9-6+,11-8+
InChIKeySASKOJUDOBWZLP-DNLSTQPZSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
CID 5368091
(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-diene
CID 173172590
3-methylhepta-2,5-dien-1-ol
CID 167443292
(7-hydroperoxy-3,7-dimethylocta-2,5-dienyl) acetate
CID 162873197
(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
CID 59516406
(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol
CID 162956168
(E)-5-hydroxy-3-methylpent-3-enal
CID 88818950
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
(E)-5-methoxy-3,5-dimethylhex-2-en-1-ol
CID 87273401
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
5-ethoxy-5-methylhept-1-en-4-one
CID 116746804

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol?
The IUPAC name of (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol (CID 21079518) is (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol?
The canonical SMILES for (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol is CCOC(C)(C)/C=C/C/C(C)=C/CO.
What is the InChIKey of (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol?
The InChIKey is SASKOJUDOBWZLP-DNLSTQPZSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h6,8-9,13H,5,7,10H2,1-4H3/b9-6+,11-8+.
What are the key properties of (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol?
(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol is sourced from PubChem (CID 21079518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).