(3E,7E)-9-methyldeca-1,3,7-triene

C11H18 — CID 101414428

IUPAC(3E,7E)-9-methyldeca-1,3,7-triene
SMILESC=C/C=C/CC/C=C/C(C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+,10-9+
InChIKeyNIDSWOZTECEDQD-QPHGKBKNSA-N
MW150.26 g/mol
LogP3.72
Rot. Bonds5

About (3E,7E)-9-methyldeca-1,3,7-triene

(3E,7E)-9-methyldeca-1,3,7-triene (PubChem CID 101414428) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3E,7E)-9-methyldeca-1,3,7-triene.

Molecular Properties

Compound Name(3E,7E)-9-methyldeca-1,3,7-triene
PubChem CID101414428
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3E,7E)-9-methyldeca-1,3,7-triene
SMILESC=C/C=C/CC/C=C/C(C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+,10-9+
InChIKeyNIDSWOZTECEDQD-QPHGKBKNSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-methylundeca-1,3,7,10-tetraene
CID 154197788
N-(2-methylpropyl)nona-2,6,8-trien-1-amine
CID 150789104
(3Z)-hepta-1,3-diene
CID 6427773
7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene
CID 154245049
11-methyldodeca-1,3-diene
CID 154156925
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium
CID 101109490
octa-1,5,7-trien-1-amine
CID 76706648
(3E)-8-methylnona-1,3,7-triene
CID 16752433
8,11-dimethyldodeca-1,3,7-triene
CID 91281393
[(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 10531152
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-9-methyldeca-1,3,7-triene?
The IUPAC name of (3E,7E)-9-methyldeca-1,3,7-triene (CID 101414428) is (3E,7E)-9-methyldeca-1,3,7-triene.
What is the SMILES notation for (3E,7E)-9-methyldeca-1,3,7-triene?
The canonical SMILES for (3E,7E)-9-methyldeca-1,3,7-triene is C=C/C=C/CC/C=C/C(C)C.
What is the InChIKey of (3E,7E)-9-methyldeca-1,3,7-triene?
The InChIKey is NIDSWOZTECEDQD-QPHGKBKNSA-N. The full InChI is InChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4-6,9-11H,1,7-8H2,2-3H3/b6-5+,10-9+.
What are the key properties of (3E,7E)-9-methyldeca-1,3,7-triene?
(3E,7E)-9-methyldeca-1,3,7-triene has a molecular weight of 150.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-9-methyldeca-1,3,7-triene is sourced from PubChem (CID 101414428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).