4-methylidenetricosane

C24H48 — CID 139983205

IUPAC4-methylidenetricosane
SMILESC=C(CCC)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-5-2/h3-23H2,1-2H3
InChIKeyZIVMTGHTIQAESD-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.38
Rot. Bonds20

About 4-methylidenetricosane

4-methylidenetricosane (PubChem CID 139983205) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 4-methylidenetricosane.

Molecular Properties

Compound Name4-methylidenetricosane
PubChem CID139983205
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name4-methylidenetricosane
SMILESC=C(CCC)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-5-2/h3-23H2,1-2H3
InChIKeyZIVMTGHTIQAESD-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.38
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-methylidenenonadecane
CID 139983203
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
3,8-dimethylidenetetradecane
CID 173410299
3-methylidenedecane
CID 21453024
2-methylidenepentadecan-1-ol
CID 10847661
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
butane;3,8-dimethylideneundecane;pentane;propane
CID 143697639
17-methylidenetricosan-9-amine
CID 129036120
2-methyl-5-methylideneundecane
CID 54320712
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833

Frequently Asked Questions

What is the IUPAC name of 4-methylidenetricosane?
The IUPAC name of 4-methylidenetricosane (CID 139983205) is 4-methylidenetricosane.
What is the SMILES notation for 4-methylidenetricosane?
The canonical SMILES for 4-methylidenetricosane is C=C(CCC)CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 4-methylidenetricosane?
The InChIKey is ZIVMTGHTIQAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(3)22-5-2/h3-23H2,1-2H3.
What are the key properties of 4-methylidenetricosane?
4-methylidenetricosane has a molecular weight of 336.65 g/mol, XLogP of 9.38, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenetricosane is sourced from PubChem (CID 139983205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).