(2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene

C21H38 — CID 144529342

IUPAC(2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene
SMILESC=C(/C=C\C(C)=C/C)C(CCCCC)CCCCC(C)C
InChIInChI=1S/C21H38/c1-7-9-10-14-21(15-12-11-13-18(3)4)20(6)17-16-19(5)8-2/h8,16-18,21H,6-7,9-15H2,1-5H3/b17-16-,19-8-
InChIKeyYDRIJPFJXSQIMB-SZGALGRJSA-N
MW290.54 g/mol
LogP7.48
Rot. Bonds12

About (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene

(2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene (PubChem CID 144529342) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene
PubChem CID144529342
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name(2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene
SMILESC=C(/C=C\C(C)=C/C)C(CCCCC)CCCCC(C)C
InChIInChI=1S/C21H38/c1-7-9-10-14-21(15-12-11-13-18(3)4)20(6)17-16-19(5)8-2/h8,16-18,21H,6-7,9-15H2,1-5H3/b17-16-,19-8-
InChIKeyYDRIJPFJXSQIMB-SZGALGRJSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.48
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

decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
(2Z,4Z)-3-methyl-6-methylidene-7-propan-2-yldeca-2,4-diene
CID 156738018
ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene
CID 178052039
cobalt;2-methylheptane
CID 175521472
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
2-methyloctacosane
CID 519147
3-methylbut-1-ene;2-methylheptane
CID 157223055

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene?
The IUPAC name of (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene (CID 144529342) is (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene.
What is the SMILES notation for (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene?
The canonical SMILES for (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene is C=C(/C=C\C(C)=C/C)C(CCCCC)CCCCC(C)C.
What is the InChIKey of (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene?
The InChIKey is YDRIJPFJXSQIMB-SZGALGRJSA-N. The full InChI is InChI=1S/C21H38/c1-7-9-10-14-21(15-12-11-13-18(3)4)20(6)17-16-19(5)8-2/h8,16-18,21H,6-7,9-15H2,1-5H3/b17-16-,19-8-.
What are the key properties of (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene?
(2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene has a molecular weight of 290.54 g/mol, XLogP of 7.48, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3,12-dimethyl-6-methylidene-7-pentyltrideca-2,4-diene is sourced from PubChem (CID 144529342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).