(5E)-3-ethyl-7-methylidenenona-1,5-diene

C12H20 — CID 22448221

IUPAC(5E)-3-ethyl-7-methylidenenona-1,5-diene
SMILESC=CC(CC)C/C=C/C(=C)CC
InChIInChI=1S/C12H20/c1-5-11(4)9-8-10-12(6-2)7-3/h6,8-9,12H,2,4-5,7,10H2,1,3H3/b9-8+
InChIKeyGWAGXFLSHWZHSA-CMDGGOBGSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds6

About (5E)-3-ethyl-7-methylidenenona-1,5-diene

(5E)-3-ethyl-7-methylidenenona-1,5-diene (PubChem CID 22448221) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (5E)-3-ethyl-7-methylidenenona-1,5-diene.

Molecular Properties

Compound Name(5E)-3-ethyl-7-methylidenenona-1,5-diene
PubChem CID22448221
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(5E)-3-ethyl-7-methylidenenona-1,5-diene
SMILESC=CC(CC)C/C=C/C(=C)CC
InChIInChI=1S/C12H20/c1-5-11(4)9-8-10-12(6-2)7-3/h6,8-9,12H,2,4-5,7,10H2,1,3H3/b9-8+
InChIKeyGWAGXFLSHWZHSA-CMDGGOBGSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 91381848
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3-ethyl-7-methylidenedec-5-ene
CID 91151105
(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene
CID 143261301
carbonic acid;2-ethylbut-3-en-1-ol
CID 159522260
8-methylidenedeca-2,6-diene
CID 123418054
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CID 144612607
3-methylidenepent-1-ene
CID 18850
5,10-diethyl-2-methyl-6-(3-methylbut-3-enyl)dodeca-1,5,11-triene
CID 173442657
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
5-ethenyl-3-ethylocta-1,7-diene
CID 150052452
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CID 87301215

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-7-methylidenenona-1,5-diene?
The IUPAC name of (5E)-3-ethyl-7-methylidenenona-1,5-diene (CID 22448221) is (5E)-3-ethyl-7-methylidenenona-1,5-diene.
What is the SMILES notation for (5E)-3-ethyl-7-methylidenenona-1,5-diene?
The canonical SMILES for (5E)-3-ethyl-7-methylidenenona-1,5-diene is C=CC(CC)C/C=C/C(=C)CC.
What is the InChIKey of (5E)-3-ethyl-7-methylidenenona-1,5-diene?
The InChIKey is GWAGXFLSHWZHSA-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H20/c1-5-11(4)9-8-10-12(6-2)7-3/h6,8-9,12H,2,4-5,7,10H2,1,3H3/b9-8+.
What are the key properties of (5E)-3-ethyl-7-methylidenenona-1,5-diene?
(5E)-3-ethyl-7-methylidenenona-1,5-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-7-methylidenenona-1,5-diene is sourced from PubChem (CID 22448221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).