ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene

C15H32O — CID 144653602

IUPACethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
SMILESC/C=C\C=C/C(C)=C\C.CC.CC.COC
InChIInChI=1S/C9H14.C2H6O.2C2H6/c1-4-6-7-8-9(3)5-2;1-3-2;2*1-2/h4-8H,1-3H3;1-2H3;2*1-2H3/b6-4-,8-7-,9-5-;;;
InChIKeyLPHKBFVAPUXZRE-NWXITFCZSA-N
MW228.42 g/mol
LogP5.40
Rot. Bonds2

About ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene

ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene (PubChem CID 144653602) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene.

Molecular Properties

Compound Nameethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
PubChem CID144653602
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Nameethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
SMILESC/C=C\C=C/C(C)=C\C.CC.CC.COC
InChIInChI=1S/C9H14.C2H6O.2C2H6/c1-4-6-7-8-9(3)5-2;1-3-2;2*1-2/h4-8H,1-3H3;1-2H3;2*1-2H3/b6-4-,8-7-,9-5-;;;
InChIKeyLPHKBFVAPUXZRE-NWXITFCZSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
3-methylocta-2,4,6-trien-1-ol
CID 130124602
(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703
ethane;(1E,3Z,5Z)-1-ethenylsulfanyl-2-methylhepta-1,3,5-triene
CID 142271409
3-methylocta-2,4,6-trienamide
CID 141023741
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
2-methylhepta-1,3,5-triene
CID 54571604
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene?
The IUPAC name of ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene (CID 144653602) is ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene.
What is the SMILES notation for ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene?
The canonical SMILES for ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene is C/C=C\C=C/C(C)=C\C.CC.CC.COC.
What is the InChIKey of ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene?
The InChIKey is LPHKBFVAPUXZRE-NWXITFCZSA-N. The full InChI is InChI=1S/C9H14.C2H6O.2C2H6/c1-4-6-7-8-9(3)5-2;1-3-2;2*1-2/h4-8H,1-3H3;1-2H3;2*1-2H3/b6-4-,8-7-,9-5-;;;.
What are the key properties of ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene?
ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene has a molecular weight of 228.42 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene is sourced from PubChem (CID 144653602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).