6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene

C13H20 — CID 123708216

IUPAC6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
SMILESC=C(C)CC(=C)C=C(C=CC)CC
InChIInChI=1S/C13H20/c1-6-8-13(7-2)10-12(5)9-11(3)4/h6,8,10H,3,5,7,9H2,1-2,4H3
InChIKeyOWOWFPMSPCGNCB-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds5

About 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene

6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene (PubChem CID 123708216) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
PubChem CID123708216
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
SMILESC=C(C)CC(=C)C=C(C=CC)CC
InChIInChI=1S/C13H20/c1-6-8-13(7-2)10-12(5)9-11(3)4/h6,8,10H,3,5,7,9H2,1-2,4H3
InChIKeyOWOWFPMSPCGNCB-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
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

ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
CID 144719096
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
(4Z,6Z)-6-ethyl-8-methylidenedeca-1,4,6-triene
CID 144773854
(3Z)-N-ethenyl-4-[(Z)-prop-1-enyl]octa-1,3-dien-2-amine
CID 155001940
(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
CID 143971221
(2Z,5E,7Z)-5,8-dimethyl-4-methylidenedeca-2,5,7-triene
CID 143769871
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene
CID 100961260
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene?
The IUPAC name of 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene (CID 123708216) is 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene.
What is the SMILES notation for 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene?
The canonical SMILES for 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene is C=C(C)CC(=C)C=C(C=CC)CC.
What is the InChIKey of 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene?
The InChIKey is OWOWFPMSPCGNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-6-8-13(7-2)10-12(5)9-11(3)4/h6,8,10H,3,5,7,9H2,1-2,4H3.
What are the key properties of 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene?
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene is sourced from PubChem (CID 123708216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).