12-pentyltricosa-1,22-diene

C28H54 — CID 102409743

IUPAC12-pentyltricosa-1,22-diene
SMILESC=CCCCCCCCCCC(CCCCC)CCCCCCCCCC=C
InChIInChI=1S/C28H54/c1-4-7-10-12-14-16-18-20-23-26-28(25-22-9-6-3)27-24-21-19-17-15-13-11-8-5-2/h4-5,28H,1-2,6-27H2,3H3
InChIKeyCFMHLZZGRPGEJE-UHFFFAOYSA-N
MW390.74 g/mol
LogP10.58
Rot. Bonds24

About 12-pentyltricosa-1,22-diene

12-pentyltricosa-1,22-diene (PubChem CID 102409743) has the molecular formula C28H54 and a molecular weight of 390.74 g/mol. Its IUPAC name is 12-pentyltricosa-1,22-diene.

Molecular Properties

Compound Name12-pentyltricosa-1,22-diene
PubChem CID102409743
Molecular FormulaC28H54
Molecular Weight390.74 g/mol
Exact Mass390.42
IUPAC Name12-pentyltricosa-1,22-diene
SMILESC=CCCCCCCCCCC(CCCCC)CCCCCCCCCC=C
InChIInChI=1S/C28H54/c1-4-7-10-12-14-16-18-20-23-26-28(25-22-9-6-3)27-24-21-19-17-15-13-11-8-5-2/h4-5,28H,1-2,6-27H2,3H3
InChIKeyCFMHLZZGRPGEJE-UHFFFAOYSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 510.58
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

7-pentyltridec-1-ene
CID 123620244
26-heptadecylnonapentacont-1-ene
CID 123445046
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
7-butylundec-1-ene
CID 174048295
10-ethyldocos-1-ene
CID 91804827
8-ethylpentadec-1-ene
CID 91081893
9-ethylhexadec-1-ene
CID 163949602
9-propyldodec-1-ene
CID 174048054
7-propylundec-1-ene
CID 174048285
6-ethyltridec-1-ene
CID 174048481
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
non-1-ene
CID 141296734

Frequently Asked Questions

What is the IUPAC name of 12-pentyltricosa-1,22-diene?
The IUPAC name of 12-pentyltricosa-1,22-diene (CID 102409743) is 12-pentyltricosa-1,22-diene.
What is the SMILES notation for 12-pentyltricosa-1,22-diene?
The canonical SMILES for 12-pentyltricosa-1,22-diene is C=CCCCCCCCCCC(CCCCC)CCCCCCCCCC=C.
What is the InChIKey of 12-pentyltricosa-1,22-diene?
The InChIKey is CFMHLZZGRPGEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54/c1-4-7-10-12-14-16-18-20-23-26-28(25-22-9-6-3)27-24-21-19-17-15-13-11-8-5-2/h4-5,28H,1-2,6-27H2,3H3.
What are the key properties of 12-pentyltricosa-1,22-diene?
12-pentyltricosa-1,22-diene has a molecular weight of 390.74 g/mol, XLogP of 10.58, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pentyltricosa-1,22-diene is sourced from PubChem (CID 102409743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).