19-methyltricosa-1,2-diene

C24H46 — CID 91801678

IUPAC19-methyltricosa-1,2-diene
SMILESC=C=CCCCCCCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C24H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h6,24H,1,5,7-23H2,2-3H3
InChIKeyXXMSQDLYGJUPJB-UHFFFAOYSA-N
MW334.63 g/mol
LogP9.01
Rot. Bonds19

About 19-methyltricosa-1,2-diene

19-methyltricosa-1,2-diene (PubChem CID 91801678) has the molecular formula C24H46 and a molecular weight of 334.63 g/mol. Its IUPAC name is 19-methyltricosa-1,2-diene.

Molecular Properties

Compound Name19-methyltricosa-1,2-diene
PubChem CID91801678
Molecular FormulaC24H46
Molecular Weight334.63 g/mol
Exact Mass334.36
IUPAC Name19-methyltricosa-1,2-diene
SMILESC=C=CCCCCCCCCCCCCCCCC(C)CCCC
InChIInChI=1S/C24H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h6,24H,1,5,7-23H2,2-3H3
InChIKeyXXMSQDLYGJUPJB-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentacosa-1,2-diene
CID 91256364
docosa-1,2-diene
CID 90871698
13-ethylhexacosa-1,2-diene
CID 91273898
7-methylundec-1-ene
CID 522554
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
nona-7,8-dien-2-ol
CID 121332931
8-methylnonadec-1-ene
CID 90877384
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
5,9,17-trimethylhenicosane
CID 123913465
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472

Frequently Asked Questions

What is the IUPAC name of 19-methyltricosa-1,2-diene?
The IUPAC name of 19-methyltricosa-1,2-diene (CID 91801678) is 19-methyltricosa-1,2-diene.
What is the SMILES notation for 19-methyltricosa-1,2-diene?
The canonical SMILES for 19-methyltricosa-1,2-diene is C=C=CCCCCCCCCCCCCCCCC(C)CCCC.
What is the InChIKey of 19-methyltricosa-1,2-diene?
The InChIKey is XXMSQDLYGJUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-7-5-2/h6,24H,1,5,7-23H2,2-3H3.
What are the key properties of 19-methyltricosa-1,2-diene?
19-methyltricosa-1,2-diene has a molecular weight of 334.63 g/mol, XLogP of 9.01, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methyltricosa-1,2-diene is sourced from PubChem (CID 91801678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).