(E)-5,17,23-trimethylheptacos-13-ene

C30H60 — CID 173194440

IUPAC(E)-5,17,23-trimethylheptacos-13-ene
SMILESCCCCC(C)CCCCCCC/C=C/CCC(C)CCCCCC(C)CCCC
InChIInChI=1S/C30H60/c1-6-8-22-28(3)24-18-15-13-11-10-12-14-16-19-25-30(5)27-21-17-20-26-29(4)23-9-7-2/h14,16,28-30H,6-13,15,17-27H2,1-5H3/b16-14+
InChIKeyXSDDZPMBUUECTB-JQIJEIRASA-N
MW420.81 g/mol
LogP11.29
Rot. Bonds23

About (E)-5,17,23-trimethylheptacos-13-ene

(E)-5,17,23-trimethylheptacos-13-ene (PubChem CID 173194440) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is (E)-5,17,23-trimethylheptacos-13-ene.

Molecular Properties

Compound Name(E)-5,17,23-trimethylheptacos-13-ene
PubChem CID173194440
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name(E)-5,17,23-trimethylheptacos-13-ene
SMILESCCCCC(C)CCCCCCC/C=C/CCC(C)CCCCCC(C)CCCC
InChIInChI=1S/C30H60/c1-6-8-22-28(3)24-18-15-13-11-10-12-14-16-19-25-30(5)27-21-17-20-26-29(4)23-9-7-2/h14,16,28-30H,6-13,15,17-27H2,1-5H3/b16-14+
InChIKeyXSDDZPMBUUECTB-JQIJEIRASA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 511.29
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

4,21-dimethylpentacos-7-ene
CID 91445883
5-methylheptadec-8-ene
CID 162470798
12-methylicos-6-ene
CID 91498266
(E)-13-methyltetracos-6-ene
CID 173194183
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
(E)-20-methyloctacos-4-ene
CID 173194294
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-19-methyltricos-2-ene
CID 173194552
(E)-10,15-dimethyltricos-3-ene
CID 173194599
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
(E,5R)-2,5-dimethylheptadec-8-ene
CID 11097499

Frequently Asked Questions

What is the IUPAC name of (E)-5,17,23-trimethylheptacos-13-ene?
The IUPAC name of (E)-5,17,23-trimethylheptacos-13-ene (CID 173194440) is (E)-5,17,23-trimethylheptacos-13-ene.
What is the SMILES notation for (E)-5,17,23-trimethylheptacos-13-ene?
The canonical SMILES for (E)-5,17,23-trimethylheptacos-13-ene is CCCCC(C)CCCCCCC/C=C/CCC(C)CCCCCC(C)CCCC.
What is the InChIKey of (E)-5,17,23-trimethylheptacos-13-ene?
The InChIKey is XSDDZPMBUUECTB-JQIJEIRASA-N. The full InChI is InChI=1S/C30H60/c1-6-8-22-28(3)24-18-15-13-11-10-12-14-16-19-25-30(5)27-21-17-20-26-29(4)23-9-7-2/h14,16,28-30H,6-13,15,17-27H2,1-5H3/b16-14+.
What are the key properties of (E)-5,17,23-trimethylheptacos-13-ene?
(E)-5,17,23-trimethylheptacos-13-ene has a molecular weight of 420.81 g/mol, XLogP of 11.29, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,17,23-trimethylheptacos-13-ene is sourced from PubChem (CID 173194440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).