4-methylidenenonadecane

C20H40 — CID 139983203

IUPAC4-methylidenenonadecane
SMILESC=C(CCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(3)18-5-2/h3-19H2,1-2H3
InChIKeyORHFQRBEZGUYFS-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.82
Rot. Bonds16

About 4-methylidenenonadecane

4-methylidenenonadecane (PubChem CID 139983203) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 4-methylidenenonadecane.

Molecular Properties

Compound Name4-methylidenenonadecane
PubChem CID139983203
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name4-methylidenenonadecane
SMILESC=C(CCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(3)18-5-2/h3-19H2,1-2H3
InChIKeyORHFQRBEZGUYFS-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.82
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-methylidenetricosane
CID 139983205
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-methylidenenonadecane?
The IUPAC name of 4-methylidenenonadecane (CID 139983203) is 4-methylidenenonadecane.
What is the SMILES notation for 4-methylidenenonadecane?
The canonical SMILES for 4-methylidenenonadecane is C=C(CCC)CCCCCCCCCCCCCCC.
What is the InChIKey of 4-methylidenenonadecane?
The InChIKey is ORHFQRBEZGUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(3)18-5-2/h3-19H2,1-2H3.
What are the key properties of 4-methylidenenonadecane?
4-methylidenenonadecane has a molecular weight of 280.54 g/mol, XLogP of 7.82, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenenonadecane is sourced from PubChem (CID 139983203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).