(E)-20-methyloctacos-4-ene

C29H58 — CID 173194294

IUPAC(E)-20-methyloctacos-4-ene
SMILESCCC/C=C/CCCCCCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C29H58/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(3)27-25-23-11-9-7-5-2/h8,10,29H,4-7,9,11-28H2,1-3H3/b10-8+
InChIKeyFFINZJCQKSFDBX-CSKARUKUSA-N
MW406.78 g/mol
LogP11.19
Rot. Bonds24

About (E)-20-methyloctacos-4-ene

(E)-20-methyloctacos-4-ene (PubChem CID 173194294) has the molecular formula C29H58 and a molecular weight of 406.78 g/mol. Its IUPAC name is (E)-20-methyloctacos-4-ene.

Molecular Properties

Compound Name(E)-20-methyloctacos-4-ene
PubChem CID173194294
Molecular FormulaC29H58
Molecular Weight406.78 g/mol
Exact Mass406.45
IUPAC Name(E)-20-methyloctacos-4-ene
SMILESCCC/C=C/CCCCCCCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C29H58/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(3)27-25-23-11-9-7-5-2/h8,10,29H,4-7,9,11-28H2,1-3H3/b10-8+
InChIKeyFFINZJCQKSFDBX-CSKARUKUSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.78
LogP ≤ 511.19
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

(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
(E)-10,15-dimethyltricos-3-ene
CID 173194599
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
5-methylheptadec-8-ene
CID 162470798
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(E)-10-methyloctadec-7-ene
CID 173194246
7-methylpentadec-1-en-1-ol
CID 73444585
(E)-7-methylpentadec-1-en-1-ol
CID 18427313
2,11-dimethylhexadec-3-ene
CID 123962533

Frequently Asked Questions

What is the IUPAC name of (E)-20-methyloctacos-4-ene?
The IUPAC name of (E)-20-methyloctacos-4-ene (CID 173194294) is (E)-20-methyloctacos-4-ene.
What is the SMILES notation for (E)-20-methyloctacos-4-ene?
The canonical SMILES for (E)-20-methyloctacos-4-ene is CCC/C=C/CCCCCCCCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of (E)-20-methyloctacos-4-ene?
The InChIKey is FFINZJCQKSFDBX-CSKARUKUSA-N. The full InChI is InChI=1S/C29H58/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(3)27-25-23-11-9-7-5-2/h8,10,29H,4-7,9,11-28H2,1-3H3/b10-8+.
What are the key properties of (E)-20-methyloctacos-4-ene?
(E)-20-methyloctacos-4-ene has a molecular weight of 406.78 g/mol, XLogP of 11.19, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-20-methyloctacos-4-ene is sourced from PubChem (CID 173194294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).