6-methylidenedodecane

C13H26 — CID 21453027

IUPAC6-methylidenedodecane
SMILESC=C(CCCCC)CCCCCC
InChIInChI=1S/C13H26/c1-4-6-8-10-12-13(3)11-9-7-5-2/h3-12H2,1-2H3
InChIKeyCYALHUDNRUHEHS-UHFFFAOYSA-N
MW182.35 g/mol
LogP5.09
Rot. Bonds9

About 6-methylidenedodecane

6-methylidenedodecane (PubChem CID 21453027) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 6-methylidenedodecane.

Molecular Properties

Compound Name6-methylidenedodecane
PubChem CID21453027
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name6-methylidenedodecane
SMILESC=C(CCCCC)CCCCCC
InChIInChI=1S/C13H26/c1-4-6-8-10-12-13(3)11-9-7-5-2/h3-12H2,1-2H3
InChIKeyCYALHUDNRUHEHS-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.35
LogP ≤ 55.09
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

6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
3,8-dimethylidenetetradecane
CID 173410299
3-methylidenedecane
CID 21453024
2-methylidenepentadecan-1-ol
CID 10847661
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
2-methyl-5-methylideneundecane
CID 54320712
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
dodecanoic acid;5-methylidenenonane
CID 87640526
17-methylidenetricosan-9-amine
CID 129036120

Frequently Asked Questions

What is the IUPAC name of 6-methylidenedodecane?
The IUPAC name of 6-methylidenedodecane (CID 21453027) is 6-methylidenedodecane.
What is the SMILES notation for 6-methylidenedodecane?
The canonical SMILES for 6-methylidenedodecane is C=C(CCCCC)CCCCCC.
What is the InChIKey of 6-methylidenedodecane?
The InChIKey is CYALHUDNRUHEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-6-8-10-12-13(3)11-9-7-5-2/h3-12H2,1-2H3.
What are the key properties of 6-methylidenedodecane?
6-methylidenedodecane has a molecular weight of 182.35 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenedodecane is sourced from PubChem (CID 21453027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).