(2Z,5Z)-12-methyltrideca-2,5-diene

C14H26 — CID 171755800

IUPAC(2Z,5Z)-12-methyltrideca-2,5-diene
SMILESC/C=C\C/C=C\CCCCCC(C)C
InChIInChI=1S/C14H26/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4-5,7-8,14H,6,9-13H2,1-3H3/b5-4-,8-7-
InChIKeyZOEAOCXJSJBYHA-UTOQUPLUSA-N
MW194.36 g/mol
LogP5.12
Rot. Bonds8

About (2Z,5Z)-12-methyltrideca-2,5-diene

(2Z,5Z)-12-methyltrideca-2,5-diene (PubChem CID 171755800) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (2Z,5Z)-12-methyltrideca-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-12-methyltrideca-2,5-diene
PubChem CID171755800
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(2Z,5Z)-12-methyltrideca-2,5-diene
SMILESC/C=C\C/C=C\CCCCCC(C)C
InChIInChI=1S/C14H26/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4-5,7-8,14H,6,9-13H2,1-3H3/b5-4-,8-7-
InChIKeyZOEAOCXJSJBYHA-UTOQUPLUSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.12
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'}

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Related Compounds

(E)-11-methyldodec-2-ene
CID 134687647
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
CID 173133172
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
(E)-2,11-dimethyldodec-5-ene
CID 168834978
2-methylhenicos-9-ene
CID 54211724

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-12-methyltrideca-2,5-diene?
The IUPAC name of (2Z,5Z)-12-methyltrideca-2,5-diene (CID 171755800) is (2Z,5Z)-12-methyltrideca-2,5-diene.
What is the SMILES notation for (2Z,5Z)-12-methyltrideca-2,5-diene?
The canonical SMILES for (2Z,5Z)-12-methyltrideca-2,5-diene is C/C=C\C/C=C\CCCCCC(C)C.
What is the InChIKey of (2Z,5Z)-12-methyltrideca-2,5-diene?
The InChIKey is ZOEAOCXJSJBYHA-UTOQUPLUSA-N. The full InChI is InChI=1S/C14H26/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h4-5,7-8,14H,6,9-13H2,1-3H3/b5-4-,8-7-.
What are the key properties of (2Z,5Z)-12-methyltrideca-2,5-diene?
(2Z,5Z)-12-methyltrideca-2,5-diene has a molecular weight of 194.36 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-12-methyltrideca-2,5-diene is sourced from PubChem (CID 171755800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).