ethane;(2Z,4Z)-4-methylocta-2,4-diene

C11H22 — CID 176669998

IUPACethane;(2Z,4Z)-4-methylocta-2,4-diene
SMILESC/C=C\C(C)=C/CCC.CC
InChIInChI=1S/C9H16.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h5,7-8H,4,6H2,1-3H3;1-2H3/b7-5-,9-8-;
InChIKeyNGWVGRLBRKTASD-KAVWWGJUSA-N
MW154.30 g/mol
LogP4.34
Rot. Bonds3

About ethane;(2Z,4Z)-4-methylocta-2,4-diene

ethane;(2Z,4Z)-4-methylocta-2,4-diene (PubChem CID 176669998) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is ethane;(2Z,4Z)-4-methylocta-2,4-diene.

Molecular Properties

Compound Nameethane;(2Z,4Z)-4-methylocta-2,4-diene
PubChem CID176669998
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameethane;(2Z,4Z)-4-methylocta-2,4-diene
SMILESC/C=C\C(C)=C/CCC.CC
InChIInChI=1S/C9H16.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h5,7-8H,4,6H2,1-3H3;1-2H3/b7-5-,9-8-;
InChIKeyNGWVGRLBRKTASD-KAVWWGJUSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.34
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;(2Z,4Z)-4-methylocta-2,4-diene?
The IUPAC name of ethane;(2Z,4Z)-4-methylocta-2,4-diene (CID 176669998) is ethane;(2Z,4Z)-4-methylocta-2,4-diene.
What is the SMILES notation for ethane;(2Z,4Z)-4-methylocta-2,4-diene?
The canonical SMILES for ethane;(2Z,4Z)-4-methylocta-2,4-diene is C/C=C\C(C)=C/CCC.CC.
What is the InChIKey of ethane;(2Z,4Z)-4-methylocta-2,4-diene?
The InChIKey is NGWVGRLBRKTASD-KAVWWGJUSA-N. The full InChI is InChI=1S/C9H16.C2H6/c1-4-6-8-9(3)7-5-2;1-2/h5,7-8H,4,6H2,1-3H3;1-2H3/b7-5-,9-8-;.
What are the key properties of ethane;(2Z,4Z)-4-methylocta-2,4-diene?
ethane;(2Z,4Z)-4-methylocta-2,4-diene has a molecular weight of 154.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-4-methylocta-2,4-diene is sourced from PubChem (CID 176669998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).