7-methylidenepentadecane

C16H32 — CID 11770113

IUPAC7-methylidenepentadecane
SMILESC=C(CCCCCC)CCCCCCCC
InChIInChI=1S/C16H32/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h3-15H2,1-2H3
InChIKeyALLHOOZJEFGTPW-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.26
Rot. Bonds12

About 7-methylidenepentadecane

7-methylidenepentadecane (PubChem CID 11770113) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 7-methylidenepentadecane.

Molecular Properties

Compound Name7-methylidenepentadecane
PubChem CID11770113
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name7-methylidenepentadecane
SMILESC=C(CCCCCC)CCCCCCCC
InChIInChI=1S/C16H32/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h3-15H2,1-2H3
InChIKeyALLHOOZJEFGTPW-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.26
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'}

Analyze 7-methylidenepentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methylidenepentadecane?
The IUPAC name of 7-methylidenepentadecane (CID 11770113) is 7-methylidenepentadecane.
What is the SMILES notation for 7-methylidenepentadecane?
The canonical SMILES for 7-methylidenepentadecane is C=C(CCCCCC)CCCCCCCC.
What is the InChIKey of 7-methylidenepentadecane?
The InChIKey is ALLHOOZJEFGTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h3-15H2,1-2H3.
What are the key properties of 7-methylidenepentadecane?
7-methylidenepentadecane has a molecular weight of 224.43 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidenepentadecane is sourced from PubChem (CID 11770113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).