(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene

C26H46 — CID 177270175

IUPAC(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
SMILESCC/C=C/CCC/C=C/CCC(CC/C=C/CCC/C=C/CC)C(C)C
InChIInChI=1S/C26H46/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/h7-10,17-20,25-26H,5-6,11-16,21-24H2,1-4H3/b9-7+,10-8+,19-17+,20-18+
InChIKeyXWKDHSPWZUJTGE-WVFITRLNSA-N
MW358.65 g/mol
LogP9.20
Rot. Bonds17

About (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene

(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene (PubChem CID 177270175) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene.

Molecular Properties

Compound Name(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
PubChem CID177270175
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
SMILESCC/C=C/CCC/C=C/CCC(CC/C=C/CCC/C=C/CC)C(C)C
InChIInChI=1S/C26H46/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/h7-10,17-20,25-26H,5-6,11-16,21-24H2,1-4H3/b9-7+,10-8+,19-17+,20-18+
InChIKeyXWKDHSPWZUJTGE-WVFITRLNSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 59.20
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'}

Analyze (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene
CID 177270023
(10E,16E,23E,29E)-20-propan-2-ylnonatriaconta-10,16,23,29-tetraene
CID 177270192
(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene
CID 177270207
(12E,16E,23E,27E)-20-propan-2-ylnonatriaconta-12,16,23,27-tetraene
CID 177270126
(2E,14E,21E,33E)-18-propan-2-ylpentatriaconta-2,14,21,33-tetraene
CID 177270133
(2E,16E,23E,37E)-20-propan-2-ylnonatriaconta-2,16,23,37-tetraene
CID 177270034
8-methylnon-3-ene
CID 54424784
(Z)-non-6-en-2-ol
CID 12835464
(E,2S)-non-6-en-2-ol
CID 12835465
8-methyldec-3-ene
CID 54115614
10-methylundec-3-ene
CID 544769
(E)-5-propan-2-yltetracos-11-ene
CID 173194520

Frequently Asked Questions

What is the IUPAC name of (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene?
The IUPAC name of (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene (CID 177270175) is (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene.
What is the SMILES notation for (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene?
The canonical SMILES for (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene is CC/C=C/CCC/C=C/CCC(CC/C=C/CCC/C=C/CC)C(C)C.
What is the InChIKey of (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene?
The InChIKey is XWKDHSPWZUJTGE-WVFITRLNSA-N. The full InChI is InChI=1S/C26H46/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/h7-10,17-20,25-26H,5-6,11-16,21-24H2,1-4H3/b9-7+,10-8+,19-17+,20-18+.
What are the key properties of (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene?
(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene has a molecular weight of 358.65 g/mol, XLogP of 9.20, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene is sourced from PubChem (CID 177270175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).