(3Z)-3-methyldodeca-1,3-diene

C13H24 — CID 13382661

IUPAC(3Z)-3-methyldodeca-1,3-diene
SMILESC=C/C(C)=C\CCCCCCCC
InChIInChI=1S/C13H24/c1-4-6-7-8-9-10-11-12-13(3)5-2/h5,12H,2,4,6-11H2,1,3H3/b13-12-
InChIKeyZXJDVAWSYCKMGY-SEYXRHQNSA-N
MW180.33 g/mol
LogP4.87
Rot. Bonds8

About (3Z)-3-methyldodeca-1,3-diene

(3Z)-3-methyldodeca-1,3-diene (PubChem CID 13382661) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3Z)-3-methyldodeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-methyldodeca-1,3-diene
PubChem CID13382661
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3Z)-3-methyldodeca-1,3-diene
SMILESC=C/C(C)=C\CCCCCCCC
InChIInChI=1S/C13H24/c1-4-6-7-8-9-10-11-12-13(3)5-2/h5,12H,2,4,6-11H2,1,3H3/b13-12-
InChIKeyZXJDVAWSYCKMGY-SEYXRHQNSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.87
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

(3E)-3-methylnona-1,3-diene
CID 13382655
(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
(E)-3-ethenylnon-3-en-2-one
CID 24976667
(6E)-7-methylnona-6,8-dienoic acid
CID 14813173
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methyloctadec-3-ene
CID 91073568
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methyldodeca-1,3-diene?
The IUPAC name of (3Z)-3-methyldodeca-1,3-diene (CID 13382661) is (3Z)-3-methyldodeca-1,3-diene.
What is the SMILES notation for (3Z)-3-methyldodeca-1,3-diene?
The canonical SMILES for (3Z)-3-methyldodeca-1,3-diene is C=C/C(C)=C\CCCCCCCC.
What is the InChIKey of (3Z)-3-methyldodeca-1,3-diene?
The InChIKey is ZXJDVAWSYCKMGY-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H24/c1-4-6-7-8-9-10-11-12-13(3)5-2/h5,12H,2,4,6-11H2,1,3H3/b13-12-.
What are the key properties of (3Z)-3-methyldodeca-1,3-diene?
(3Z)-3-methyldodeca-1,3-diene has a molecular weight of 180.33 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methyldodeca-1,3-diene is sourced from PubChem (CID 13382661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).