(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene

C12H20 — CID 143683617

IUPAC(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
SMILESC/C=C\C(C)/C=C\C(=C/C)CC
InChIInChI=1S/C12H20/c1-5-8-11(4)9-10-12(6-2)7-3/h5-6,8-11H,7H2,1-4H3/b8-5-,10-9-,12-6-
InChIKeySENDWFKSLJEURD-OQHMOINDSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds4

About (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene

(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene (PubChem CID 143683617) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene.

Molecular Properties

Compound Name(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
PubChem CID143683617
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
SMILESC/C=C\C(C)/C=C\C(=C/C)CC
InChIInChI=1S/C12H20/c1-5-8-11(4)9-10-12(6-2)7-3/h5-6,8-11H,7H2,1-4H3/b8-5-,10-9-,12-6-
InChIKeySENDWFKSLJEURD-OQHMOINDSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene
CID 143089763
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(2Z,5Z)-4-methylnona-2,5-diene
CID 144517565
[[(2R,4Z,5Z,8Z,10Z)-4-ethylidene-7-methyldodeca-5,8,10-trien-2-yl]amino]methanol
CID 171843553
[(3E,6E)-2,5-dimethylocta-3,6-dienyl] propanoate
CID 101283017
(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
CID 88543617
(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene?
The IUPAC name of (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene (CID 143683617) is (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene.
What is the SMILES notation for (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene?
The canonical SMILES for (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene is C/C=C\C(C)/C=C\C(=C/C)CC.
What is the InChIKey of (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene?
The InChIKey is SENDWFKSLJEURD-OQHMOINDSA-N. The full InChI is InChI=1S/C12H20/c1-5-8-11(4)9-10-12(6-2)7-3/h5-6,8-11H,7H2,1-4H3/b8-5-,10-9-,12-6-.
What are the key properties of (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene?
(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene is sourced from PubChem (CID 143683617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).