(4E,8E)-2-methyldeca-2,4,8-triene

C11H18 — CID 173142496

IUPAC(4E,8E)-2-methyldeca-2,4,8-triene
SMILESC/C=C/CC/C=C/C=C(C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+,9-8+
InChIKeyBZMOIGCUDGTJCP-KQWYESAVSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds4

About (4E,8E)-2-methyldeca-2,4,8-triene

(4E,8E)-2-methyldeca-2,4,8-triene (PubChem CID 173142496) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (4E,8E)-2-methyldeca-2,4,8-triene.

Molecular Properties

Compound Name(4E,8E)-2-methyldeca-2,4,8-triene
PubChem CID173142496
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(4E,8E)-2-methyldeca-2,4,8-triene
SMILESC/C=C/CC/C=C/C=C(C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+,9-8+
InChIKeyBZMOIGCUDGTJCP-KQWYESAVSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.87
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

(4Z,7Z)-2-methylnona-2,4,7-triene
CID 144748240
6-methylhepta-3,5-dien-1-amine
CID 79592244
(4E)-7-methylocta-4,6-dien-1-ol
CID 14250388
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
2,7-dimethylocta-4,6-dien-2-ol
CID 527419
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
CID 10420952
(2E,4E,8Z)-deca-2,4,8-trienoic acid
CID 87961054

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-2-methyldeca-2,4,8-triene?
The IUPAC name of (4E,8E)-2-methyldeca-2,4,8-triene (CID 173142496) is (4E,8E)-2-methyldeca-2,4,8-triene.
What is the SMILES notation for (4E,8E)-2-methyldeca-2,4,8-triene?
The canonical SMILES for (4E,8E)-2-methyldeca-2,4,8-triene is C/C=C/CC/C=C/C=C(C)C.
What is the InChIKey of (4E,8E)-2-methyldeca-2,4,8-triene?
The InChIKey is BZMOIGCUDGTJCP-KQWYESAVSA-N. The full InChI is InChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+,9-8+.
What are the key properties of (4E,8E)-2-methyldeca-2,4,8-triene?
(4E,8E)-2-methyldeca-2,4,8-triene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-2-methyldeca-2,4,8-triene is sourced from PubChem (CID 173142496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).