17-methylidenespiro[2.14]heptadecane

C18H32 — CID 166443518

IUPAC17-methylidenespiro[2.14]heptadecane
SMILESC=C1CCCCCCCCCCCCCC12CC2
InChIInChI=1S/C18H32/c1-17-13-11-9-7-5-3-2-4-6-8-10-12-14-18(17)15-16-18/h1-16H2
InChIKeyMHLCIMDQYBDKIU-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.41
Rot. Bonds

About 17-methylidenespiro[2.14]heptadecane

17-methylidenespiro[2.14]heptadecane (PubChem CID 166443518) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 17-methylidenespiro[2.14]heptadecane.

Molecular Properties

Compound Name17-methylidenespiro[2.14]heptadecane
PubChem CID166443518
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name17-methylidenespiro[2.14]heptadecane
SMILESC=C1CCCCCCCCCCCCCC12CC2
InChIInChI=1S/C18H32/c1-17-13-11-9-7-5-3-2-4-6-8-10-12-14-18(17)15-16-18/h1-16H2
InChIKeyMHLCIMDQYBDKIU-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.41
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 17-methylidenespiro[2.14]heptadecane?
The IUPAC name of 17-methylidenespiro[2.14]heptadecane (CID 166443518) is 17-methylidenespiro[2.14]heptadecane.
What is the SMILES notation for 17-methylidenespiro[2.14]heptadecane?
The canonical SMILES for 17-methylidenespiro[2.14]heptadecane is C=C1CCCCCCCCCCCCCC12CC2.
What is the InChIKey of 17-methylidenespiro[2.14]heptadecane?
The InChIKey is MHLCIMDQYBDKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-17-13-11-9-7-5-3-2-4-6-8-10-12-14-18(17)15-16-18/h1-16H2.
What are the key properties of 17-methylidenespiro[2.14]heptadecane?
17-methylidenespiro[2.14]heptadecane has a molecular weight of 248.45 g/mol, XLogP of 6.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methylidenespiro[2.14]heptadecane is sourced from PubChem (CID 166443518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).