(Z)-5-ethoxy-2,8-dimethylnon-4-ene

C13H26O — CID 10726646

IUPAC(Z)-5-ethoxy-2,8-dimethylnon-4-ene
SMILESCCO/C(=C\CC(C)C)CCC(C)C
InChIInChI=1S/C13H26O/c1-6-14-13(9-7-11(2)3)10-8-12(4)5/h9,11-12H,6-8,10H2,1-5H3/b13-9-
InChIKeyVIYUTTMIOXQXSC-LCYFTJDESA-N
MW198.35 g/mol
LogP4.39
Rot. Bonds7

About (Z)-5-ethoxy-2,8-dimethylnon-4-ene

(Z)-5-ethoxy-2,8-dimethylnon-4-ene (PubChem CID 10726646) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z)-5-ethoxy-2,8-dimethylnon-4-ene.

Molecular Properties

Compound Name(Z)-5-ethoxy-2,8-dimethylnon-4-ene
PubChem CID10726646
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(Z)-5-ethoxy-2,8-dimethylnon-4-ene
SMILESCCO/C(=C\CC(C)C)CCC(C)C
InChIInChI=1S/C13H26O/c1-6-14-13(9-7-11(2)3)10-8-12(4)5/h9,11-12H,6-8,10H2,1-5H3/b13-9-
InChIKeyVIYUTTMIOXQXSC-LCYFTJDESA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-5-(3-methylbutyl)non-4-ene
CID 19035560
2-ethoxycarbonyl-5-methylhex-2-enoic acid
CID 87776954
ethyl 2,6-dimethyl-3-oxoheptanoate
CID 121220972
ethyl 6-methyl-2,3-dioxoheptanoate
CID 71339564
diethyl 2-(3-methylbutylidene)butanedioate
CID 87709740
ethyl 2,3,6-trimethylhept-2-enoate
CID 104503390
(E)-2,5-dimethyloct-4-ene
CID 173056267
[(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate
CID 146162390
(Z)-3,6-dimethylhept-3-en-1-amine
CID 178015880
(E)-1-amino-4-methylpent-1-ene-1-thiol
CID 166985345
3-methoxy-6-methylhept-2-enoic acid
CID 57199859
4-methylpentanoyl 2-ethylbutanoate
CID 146468898

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethoxy-2,8-dimethylnon-4-ene?
The IUPAC name of (Z)-5-ethoxy-2,8-dimethylnon-4-ene (CID 10726646) is (Z)-5-ethoxy-2,8-dimethylnon-4-ene.
What is the SMILES notation for (Z)-5-ethoxy-2,8-dimethylnon-4-ene?
The canonical SMILES for (Z)-5-ethoxy-2,8-dimethylnon-4-ene is CCO/C(=C\CC(C)C)CCC(C)C.
What is the InChIKey of (Z)-5-ethoxy-2,8-dimethylnon-4-ene?
The InChIKey is VIYUTTMIOXQXSC-LCYFTJDESA-N. The full InChI is InChI=1S/C13H26O/c1-6-14-13(9-7-11(2)3)10-8-12(4)5/h9,11-12H,6-8,10H2,1-5H3/b13-9-.
What are the key properties of (Z)-5-ethoxy-2,8-dimethylnon-4-ene?
(Z)-5-ethoxy-2,8-dimethylnon-4-ene has a molecular weight of 198.35 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethoxy-2,8-dimethylnon-4-ene is sourced from PubChem (CID 10726646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).