(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene

C13H22 — CID 10797426

IUPAC(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene
SMILESC/C=C(C)/C=C(/C=C(\C)CC)CC
InChIInChI=1S/C13H22/c1-6-11(4)9-13(8-3)10-12(5)7-2/h6,9-10H,7-8H2,1-5H3/b11-6+,12-10+,13-9+
InChIKeyDSXMDNZMEOLVOM-GMUYYHJFSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds4

About (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene

(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene (PubChem CID 10797426) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene
PubChem CID10797426
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene
SMILESC/C=C(C)/C=C(/C=C(\C)CC)CC
InChIInChI=1S/C13H22/c1-6-11(4)9-13(8-3)10-12(5)7-2/h6,9-10H,7-8H2,1-5H3/b11-6+,12-10+,13-9+
InChIKeyDSXMDNZMEOLVOM-GMUYYHJFSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene
CID 100961260
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
3,5-dimethylocta-3,5-diene
CID 54471932
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
CID 144520293
(Z)-4-methylhex-3-en-2-one
CID 12930146
(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
CID 177352522
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
CID 143169630
ethane;3-methylpent-2-ene;propane
CID 144514263
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene (CID 10797426) is (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene is C/C=C(C)/C=C(/C=C(\C)CC)CC.
What is the InChIKey of (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene?
The InChIKey is DSXMDNZMEOLVOM-GMUYYHJFSA-N. The full InChI is InChI=1S/C13H22/c1-6-11(4)9-13(8-3)10-12(5)7-2/h6,9-10H,7-8H2,1-5H3/b11-6+,12-10+,13-9+.
What are the key properties of (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene?
(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene is sourced from PubChem (CID 10797426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).