13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane

C14H18 — CID 134889456

IUPAC13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane
SMILESC=C1C2(CC2)C2(CC2)C2(CC2)C12CC2
InChIInChI=1S/C14H18/c1-10-11(2-3-11)13(6-7-13)14(8-9-14)12(10)4-5-12/h1-9H2
InChIKeyPXWGZRLBJYQHDK-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.68
Rot. Bonds

About 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane

13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane (PubChem CID 134889456) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane.

Molecular Properties

Compound Name13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane
PubChem CID134889456
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane
SMILESC=C1C2(CC2)C2(CC2)C2(CC2)C12CC2
InChIInChI=1S/C14H18/c1-10-11(2-3-11)13(6-7-13)14(8-9-14)12(10)4-5-12/h1-9H2
InChIKeyPXWGZRLBJYQHDK-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.68
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 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane?
The IUPAC name of 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane (CID 134889456) is 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane.
What is the SMILES notation for 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane?
The canonical SMILES for 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane is C=C1C2(CC2)C2(CC2)C2(CC2)C12CC2.
What is the InChIKey of 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane?
The InChIKey is PXWGZRLBJYQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-11(2-3-11)13(6-7-13)14(8-9-14)12(10)4-5-12/h1-9H2.
What are the key properties of 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane?
13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane has a molecular weight of 186.30 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methylidenetetraspiro[2.0.24.0.27.0.210.13]tridecane is sourced from PubChem (CID 134889456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).