methylidenecyclopentadecane

C16H30 — CID 24974098

IUPACmethylidenecyclopentadecane
SMILESC=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h1-15H2
InChIKeyKABDYLHNXAZFQQ-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.02
Rot. Bonds

About methylidenecyclopentadecane

methylidenecyclopentadecane (PubChem CID 24974098) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is methylidenecyclopentadecane.

Molecular Properties

Compound Namemethylidenecyclopentadecane
PubChem CID24974098
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Namemethylidenecyclopentadecane
SMILESC=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h1-15H2
InChIKeyKABDYLHNXAZFQQ-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylidenecyclopentadecane?
The IUPAC name of methylidenecyclopentadecane (CID 24974098) is methylidenecyclopentadecane.
What is the SMILES notation for methylidenecyclopentadecane?
The canonical SMILES for methylidenecyclopentadecane is C=C1CCCCCCCCCCCCCC1.
What is the InChIKey of methylidenecyclopentadecane?
The InChIKey is KABDYLHNXAZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h1-15H2.
What are the key properties of methylidenecyclopentadecane?
methylidenecyclopentadecane has a molecular weight of 222.42 g/mol, XLogP of 6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidenecyclopentadecane is sourced from PubChem (CID 24974098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).