(2E,4E)-10,10-dimethylundeca-2,4-diene

C13H24 — CID 166042308

IUPAC(2E,4E)-10,10-dimethylundeca-2,4-diene
SMILESC/C=C/C=C/CCCCC(C)(C)C
InChIInChI=1S/C13H24/c1-5-6-7-8-9-10-11-12-13(2,3)4/h5-8H,9-12H2,1-4H3/b6-5+,8-7+
InChIKeyLITAWETUIUVILK-BSWSSELBSA-N
MW180.34 g/mol
LogP4.73
Rot. Bonds5

About (2E,4E)-10,10-dimethylundeca-2,4-diene

(2E,4E)-10,10-dimethylundeca-2,4-diene (PubChem CID 166042308) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (2E,4E)-10,10-dimethylundeca-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-10,10-dimethylundeca-2,4-diene
PubChem CID166042308
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(2E,4E)-10,10-dimethylundeca-2,4-diene
SMILESC/C=C/C=C/CCCCC(C)(C)C
InChIInChI=1S/C13H24/c1-5-6-7-8-9-10-11-12-13(2,3)4/h5-8H,9-12H2,1-4H3/b6-5+,8-7+
InChIKeyLITAWETUIUVILK-BSWSSELBSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

12,12-dimethyltrideca-1,3,5-trien-1-ol
CID 140507616
(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid
CID 151728816
11-chloroundeca-2,4-diene
CID 168861619
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
(2E,4E)-8-chloroocta-2,4-diene
CID 55302573
11-bromoundeca-2,4-diene
CID 168861580
11-iodoundeca-2,4-diene
CID 168861625
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
trideca-2,4,6,8-tetraene
CID 54117998
1-(11,11-dimethyldodec-1-enoxy)-11,11-dimethyldodec-1-ene
CID 139610664
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
CID 140816107

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-10,10-dimethylundeca-2,4-diene?
The IUPAC name of (2E,4E)-10,10-dimethylundeca-2,4-diene (CID 166042308) is (2E,4E)-10,10-dimethylundeca-2,4-diene.
What is the SMILES notation for (2E,4E)-10,10-dimethylundeca-2,4-diene?
The canonical SMILES for (2E,4E)-10,10-dimethylundeca-2,4-diene is C/C=C/C=C/CCCCC(C)(C)C.
What is the InChIKey of (2E,4E)-10,10-dimethylundeca-2,4-diene?
The InChIKey is LITAWETUIUVILK-BSWSSELBSA-N. The full InChI is InChI=1S/C13H24/c1-5-6-7-8-9-10-11-12-13(2,3)4/h5-8H,9-12H2,1-4H3/b6-5+,8-7+.
What are the key properties of (2E,4E)-10,10-dimethylundeca-2,4-diene?
(2E,4E)-10,10-dimethylundeca-2,4-diene has a molecular weight of 180.34 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-10,10-dimethylundeca-2,4-diene is sourced from PubChem (CID 166042308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).