12-propan-2-yltricosa-1,22-diene

C26H50 — CID 102161324

IUPAC12-propan-2-yltricosa-1,22-diene
SMILESC=CCCCCCCCCCC(CCCCCCCCCC=C)C(C)C
InChIInChI=1S/C26H50/c1-5-7-9-11-13-15-17-19-21-23-26(25(3)4)24-22-20-18-16-14-12-10-8-6-2/h5-6,25-26H,1-2,7-24H2,3-4H3
InChIKeyUXVCIVDAEZZDGP-UHFFFAOYSA-N
MW362.69 g/mol
LogP9.65
Rot. Bonds21

About 12-propan-2-yltricosa-1,22-diene

12-propan-2-yltricosa-1,22-diene (PubChem CID 102161324) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 12-propan-2-yltricosa-1,22-diene.

Molecular Properties

Compound Name12-propan-2-yltricosa-1,22-diene
PubChem CID102161324
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name12-propan-2-yltricosa-1,22-diene
SMILESC=CCCCCCCCCCC(CCCCCCCCCC=C)C(C)C
InChIInChI=1S/C26H50/c1-5-7-9-11-13-15-17-19-21-23-26(25(3)4)24-22-20-18-16-14-12-10-8-6-2/h5-6,25-26H,1-2,7-24H2,3-4H3
InChIKeyUXVCIVDAEZZDGP-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 59.65
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

25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
15,16,16-trimethylheptadec-1-ene
CID 174505406
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732
8-methylnonadec-1-ene
CID 90877384
2-methylundec-10-enal
CID 547085
dec-9-ene-2,3-diol
CID 107008756
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
13-methylhexadec-1-ene
CID 71373615
4-methyldodec-11-en-3-amine
CID 141026848
heptacosa-1,26-diene
CID 58905535

Frequently Asked Questions

What is the IUPAC name of 12-propan-2-yltricosa-1,22-diene?
The IUPAC name of 12-propan-2-yltricosa-1,22-diene (CID 102161324) is 12-propan-2-yltricosa-1,22-diene.
What is the SMILES notation for 12-propan-2-yltricosa-1,22-diene?
The canonical SMILES for 12-propan-2-yltricosa-1,22-diene is C=CCCCCCCCCCC(CCCCCCCCCC=C)C(C)C.
What is the InChIKey of 12-propan-2-yltricosa-1,22-diene?
The InChIKey is UXVCIVDAEZZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50/c1-5-7-9-11-13-15-17-19-21-23-26(25(3)4)24-22-20-18-16-14-12-10-8-6-2/h5-6,25-26H,1-2,7-24H2,3-4H3.
What are the key properties of 12-propan-2-yltricosa-1,22-diene?
12-propan-2-yltricosa-1,22-diene has a molecular weight of 362.69 g/mol, XLogP of 9.65, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-propan-2-yltricosa-1,22-diene is sourced from PubChem (CID 102161324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).