(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene

C42H78 — CID 177270023

IUPAC(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene
SMILESCC/C=C/CCCCCCCCCCC/C=C/CCC(CC/C=C/CCCCCCCCCCC/C=C/CC)C(C)C
InChIInChI=1S/C42H78/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(41(3)4)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,33-36,41-42H,5-6,11-32,37-40H2,1-4H3/b9-7+,10-8+,35-33+,36-34+
InChIKeyLYYXDLAFTRUBLW-YMMXKHMQSA-N
MW583.09 g/mol
LogP15.45
Rot. Bonds33

About (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene

(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene (PubChem CID 177270023) has the molecular formula C42H78 and a molecular weight of 583.09 g/mol. Its IUPAC name is (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene.

Molecular Properties

Compound Name(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene
PubChem CID177270023
Molecular FormulaC42H78
Molecular Weight583.09 g/mol
Exact Mass582.61
IUPAC Name(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene
SMILESCC/C=C/CCCCCCCCCCC/C=C/CCC(CC/C=C/CCCCCCCCCCC/C=C/CC)C(C)C
InChIInChI=1S/C42H78/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(41(3)4)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,33-36,41-42H,5-6,11-32,37-40H2,1-4H3/b9-7+,10-8+,35-33+,36-34+
InChIKeyLYYXDLAFTRUBLW-YMMXKHMQSA-N
XLogP15.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.09
LogP ≤ 515.45
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,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene with MolForge

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Related Compounds

(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
CID 177270175
(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,16E,23E,37E)-20-propan-2-ylnonatriaconta-2,16,23,37-tetraene
CID 177270034
(2E,14E,21E,33E)-18-propan-2-ylpentatriaconta-2,14,21,33-tetraene
CID 177270133
(3E,16E)-nonadeca-3,16-diene
CID 157471321
10-methylundec-3-ene
CID 544769
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
(E)-undec-8-en-2-ol
CID 118316981
(E)-10,15-dimethyltricos-3-ene
CID 173194599
8-methylnon-3-ene
CID 54424784

Frequently Asked Questions

What is the IUPAC name of (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene?
The IUPAC name of (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene (CID 177270023) is (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene.
What is the SMILES notation for (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene?
The canonical SMILES for (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene is CC/C=C/CCCCCCCCCCC/C=C/CCC(CC/C=C/CCCCCCCCCCC/C=C/CC)C(C)C.
What is the InChIKey of (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene?
The InChIKey is LYYXDLAFTRUBLW-YMMXKHMQSA-N. The full InChI is InChI=1S/C42H78/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(41(3)4)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,33-36,41-42H,5-6,11-32,37-40H2,1-4H3/b9-7+,10-8+,35-33+,36-34+.
What are the key properties of (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene?
(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene has a molecular weight of 583.09 g/mol, XLogP of 15.45, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene is sourced from PubChem (CID 177270023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).