ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene

C12H24 — CID 143380166

IUPACethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
SMILESC.C=C(/C=C\C=C/C)CC.CC
InChIInChI=1S/C9H14.C2H6.CH4/c1-4-6-7-8-9(3)5-2;1-2;/h4,6-8H,3,5H2,1-2H3;1-2H3;1H4/b6-4-,8-7-;;
InChIKeyFWJLGEKBXMKTPL-GTWMBCDHSA-N
MW168.32 g/mol
LogP4.75
Rot. Bonds3

About ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene

ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene (PubChem CID 143380166) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Nameethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
PubChem CID143380166
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
SMILESC.C=C(/C=C\C=C/C)CC.CC
InChIInChI=1S/C9H14.C2H6.CH4/c1-4-6-7-8-9(3)5-2;1-2;/h4,6-8H,3,5H2,1-2H3;1-2H3;1H4/b6-4-,8-7-;;
InChIKeyFWJLGEKBXMKTPL-GTWMBCDHSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene?
The IUPAC name of ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene (CID 143380166) is ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene.
What is the SMILES notation for ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene?
The canonical SMILES for ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene is C.C=C(/C=C\C=C/C)CC.CC.
What is the InChIKey of ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene?
The InChIKey is FWJLGEKBXMKTPL-GTWMBCDHSA-N. The full InChI is InChI=1S/C9H14.C2H6.CH4/c1-4-6-7-8-9(3)5-2;1-2;/h4,6-8H,3,5H2,1-2H3;1-2H3;1H4/b6-4-,8-7-;;.
What are the key properties of ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene?
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene has a molecular weight of 168.32 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene is sourced from PubChem (CID 143380166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).