(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene

C38H70 — CID 177270207

IUPAC(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene
SMILESCCCC/C=C/CCCCCCC/C=C/CCC(CC/C=C/CCCCCCC/C=C/CCCC)C(C)C
InChIInChI=1S/C38H70/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(37(3)4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h11-14,29-32,37-38H,5-10,15-28,33-36H2,1-4H3/b13-11+,14-12+,31-29+,32-30+
InChIKeyLAZGSBYIOITTMU-HOJNUDSVSA-N
MW526.98 g/mol
LogP13.89
Rot. Bonds29

About (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene

(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene (PubChem CID 177270207) has the molecular formula C38H70 and a molecular weight of 526.98 g/mol. Its IUPAC name is (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene.

Molecular Properties

Compound Name(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene
PubChem CID177270207
Molecular FormulaC38H70
Molecular Weight526.98 g/mol
Exact Mass526.55
IUPAC Name(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene
SMILESCCCC/C=C/CCCCCCC/C=C/CCC(CC/C=C/CCCCCCC/C=C/CCCC)C(C)C
InChIInChI=1S/C38H70/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(37(3)4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h11-14,29-32,37-38H,5-10,15-28,33-36H2,1-4H3/b13-11+,14-12+,31-29+,32-30+
InChIKeyLAZGSBYIOITTMU-HOJNUDSVSA-N
XLogP13.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.98
LogP ≤ 513.89
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 (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-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

(10E,16E,23E,29E)-20-propan-2-ylnonatriaconta-10,16,23,29-tetraene
CID 177270192
(12E,16E,23E,27E)-20-propan-2-ylnonatriaconta-12,16,23,27-tetraene
CID 177270126
(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene
CID 177270023
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
(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
(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
CID 177270175
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
(Z)-11-methyldodec-5-ene
CID 159147265
(E)-dodec-5-en-2-ol
CID 10511710
tetracos-5-en-2-ol
CID 173208999

Frequently Asked Questions

What is the IUPAC name of (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene?
The IUPAC name of (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene (CID 177270207) is (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene.
What is the SMILES notation for (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene?
The canonical SMILES for (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene is CCCC/C=C/CCCCCCC/C=C/CCC(CC/C=C/CCCCCCC/C=C/CCCC)C(C)C.
What is the InChIKey of (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene?
The InChIKey is LAZGSBYIOITTMU-HOJNUDSVSA-N. The full InChI is InChI=1S/C38H70/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(37(3)4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h11-14,29-32,37-38H,5-10,15-28,33-36H2,1-4H3/b13-11+,14-12+,31-29+,32-30+.
What are the key properties of (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene?
(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene has a molecular weight of 526.98 g/mol, XLogP of 13.89, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene is sourced from PubChem (CID 177270207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).