3-methylidenetridecane

C14H28 — CID 519705

IUPAC3-methylidenetridecane
SMILESC=C(CC)CCCCCCCCCC
InChIInChI=1S/C14H28/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h3-13H2,1-2H3
InChIKeyHJXYLVWUVYMJKO-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.48
Rot. Bonds10

About 3-methylidenetridecane

3-methylidenetridecane (PubChem CID 519705) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 3-methylidenetridecane.

Molecular Properties

Compound Name3-methylidenetridecane
PubChem CID519705
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name3-methylidenetridecane
SMILESC=C(CC)CCCCCCCCCC
InChIInChI=1S/C14H28/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h3-13H2,1-2H3
InChIKeyHJXYLVWUVYMJKO-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.48
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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Frequently Asked Questions

What is the IUPAC name of 3-methylidenetridecane?
The IUPAC name of 3-methylidenetridecane (CID 519705) is 3-methylidenetridecane.
What is the SMILES notation for 3-methylidenetridecane?
The canonical SMILES for 3-methylidenetridecane is C=C(CC)CCCCCCCCCC.
What is the InChIKey of 3-methylidenetridecane?
The InChIKey is HJXYLVWUVYMJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h3-13H2,1-2H3.
What are the key properties of 3-methylidenetridecane?
3-methylidenetridecane has a molecular weight of 196.38 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenetridecane is sourced from PubChem (CID 519705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).