(E)-5-propan-2-yltetracos-11-ene

C27H54 — CID 173194520

IUPAC(E)-5-propan-2-yltetracos-11-ene
SMILESCCCCCCCCCCCC/C=C/CCCCCC(CCCC)C(C)C
InChIInChI=1S/C27H54/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27(26(3)4)24-8-6-2/h18-19,26-27H,5-17,20-25H2,1-4H3/b19-18+
InChIKeyAIVYZSCTJQXRTC-VHEBQXMUSA-N
MW378.73 g/mol
LogP10.27
Rot. Bonds21

About (E)-5-propan-2-yltetracos-11-ene

(E)-5-propan-2-yltetracos-11-ene (PubChem CID 173194520) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is (E)-5-propan-2-yltetracos-11-ene.

Molecular Properties

Compound Name(E)-5-propan-2-yltetracos-11-ene
PubChem CID173194520
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name(E)-5-propan-2-yltetracos-11-ene
SMILESCCCCCCCCCCCC/C=C/CCCCCC(CCCC)C(C)C
InChIInChI=1S/C27H54/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27(26(3)4)24-8-6-2/h18-19,26-27H,5-17,20-25H2,1-4H3/b19-18+
InChIKeyAIVYZSCTJQXRTC-VHEBQXMUSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 510.27
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

(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
(5E,14E,21E,30E)-18-propan-2-ylpentatriaconta-5,14,21,30-tetraene
CID 177270207
6-propan-2-yltridecane
CID 123704479
8-propan-2-ylpentadecane
CID 153475308
10-propan-2-ylnonadecanal
CID 167408636
3-propan-2-ylhenicos-12-enoic acid
CID 54379692
2-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
12-methylicos-6-ene
CID 91498266

Frequently Asked Questions

What is the IUPAC name of (E)-5-propan-2-yltetracos-11-ene?
The IUPAC name of (E)-5-propan-2-yltetracos-11-ene (CID 173194520) is (E)-5-propan-2-yltetracos-11-ene.
What is the SMILES notation for (E)-5-propan-2-yltetracos-11-ene?
The canonical SMILES for (E)-5-propan-2-yltetracos-11-ene is CCCCCCCCCCCC/C=C/CCCCCC(CCCC)C(C)C.
What is the InChIKey of (E)-5-propan-2-yltetracos-11-ene?
The InChIKey is AIVYZSCTJQXRTC-VHEBQXMUSA-N. The full InChI is InChI=1S/C27H54/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27(26(3)4)24-8-6-2/h18-19,26-27H,5-17,20-25H2,1-4H3/b19-18+.
What are the key properties of (E)-5-propan-2-yltetracos-11-ene?
(E)-5-propan-2-yltetracos-11-ene has a molecular weight of 378.73 g/mol, XLogP of 10.27, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-propan-2-yltetracos-11-ene is sourced from PubChem (CID 173194520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).