(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol

C12H24O2 — CID 5368091

IUPAC(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
SMILESCCOC(C)(C)CCC/C(C)=C/CO
InChIInChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h8,13H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyREKGWCWCTWLPJS-DHZHZOJOSA-N
MW200.32 g/mol
LogP2.91
Rot. Bonds7

About (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol

(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol (PubChem CID 5368091) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol.

Molecular Properties

Compound Name(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
PubChem CID5368091
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol
SMILESCCOC(C)(C)CCC/C(C)=C/CO
InChIInChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h8,13H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyREKGWCWCTWLPJS-DHZHZOJOSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.91
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

1-bromo-6-ethoxy-3,6-dimethylhept-2-ene
CID 54542765
(E)-8-methoxy-3,8-dimethyldec-2-en-1-ol
CID 22749793
2-(2,6-dimethylnon-6-en-2-yloxy)-N-hydroxyacetamide
CID 76627517
(E)-1-bromo-7-ethoxy-7-ethyl-3-methylnon-2-ene
CID 22749853
(2E,5E)-7-ethoxy-3,7-dimethylocta-2,5-dien-1-ol
CID 21079518
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
CID 3035757
(Z)-6-chloro-3-methylhex-2-en-1-ol
CID 55298259
2-ethoxy-2-methylundecane
CID 150956805
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
1-[(E)-3,7-dimethyl-7-propoxyoct-2-enoxy]-4-ethylbenzene
CID 5383800

Frequently Asked Questions

What is the IUPAC name of (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol?
The IUPAC name of (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol (CID 5368091) is (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol.
What is the SMILES notation for (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol?
The canonical SMILES for (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol is CCOC(C)(C)CCC/C(C)=C/CO.
What is the InChIKey of (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol?
The InChIKey is REKGWCWCTWLPJS-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h8,13H,5-7,9-10H2,1-4H3/b11-8+.
What are the key properties of (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol?
(E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethoxy-3,7-dimethyloct-2-en-1-ol is sourced from PubChem (CID 5368091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).