(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene

C13H24O — CID 87448606

IUPAC(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene
SMILESC=CC(C)CC/C(C)=C/COCCC
InChIInChI=1S/C13H24O/c1-5-10-14-11-9-13(4)8-7-12(3)6-2/h6,9,12H,2,5,7-8,10-11H2,1,3-4H3/b13-9+
InChIKeyCYNIKMUJBCEBNB-UKTHLTGXSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds8

About (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene

(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene (PubChem CID 87448606) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene.

Molecular Properties

Compound Name(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene
PubChem CID87448606
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene
SMILESC=CC(C)CC/C(C)=C/COCCC
InChIInChI=1S/C13H24O/c1-5-10-14-11-9-13(4)8-7-12(3)6-2/h6,9,12H,2,5,7-8,10-11H2,1,3-4H3/b13-9+
InChIKeyCYNIKMUJBCEBNB-UKTHLTGXSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-8-propoxyocta-1,6-diene
CID 91499323
1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine
CID 130462131
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
azane;1-prop-2-enoxypropane
CID 87450499
methane;1-prop-2-enoxypropane
CID 157267338
3-propoxyprop-1-ene-1,1-diamine
CID 163903342
3,7-dimethyl-6-(3-methylbutoxy)octa-1,6-diene
CID 87448576
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]octadecane;1-(3,7,11-trimethyldodecoxy)octadecane
CID 159018519
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
3-methyl-6-propylideneundeca-1,10-diene
CID 173106292
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
carbonic acid;3-methylhex-1-ene
CID 161181273

Frequently Asked Questions

What is the IUPAC name of (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene?
The IUPAC name of (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene (CID 87448606) is (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene.
What is the SMILES notation for (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene?
The canonical SMILES for (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene is C=CC(C)CC/C(C)=C/COCCC.
What is the InChIKey of (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene?
The InChIKey is CYNIKMUJBCEBNB-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H24O/c1-5-10-14-11-9-13(4)8-7-12(3)6-2/h6,9,12H,2,5,7-8,10-11H2,1,3-4H3/b13-9+.
What are the key properties of (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene?
(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene has a molecular weight of 196.33 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,6-dimethyl-8-propoxyocta-1,6-diene is sourced from PubChem (CID 87448606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).