pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane

C20H30 — CID 14899866

IUPACpentaspiro[3.0.35.0.39.0.313.0.317.04]icosane
SMILESC1CC2(C1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1
InChIInChI=1S/C20H30/c1-6-16(7-1)17(8-2-9-17)19(12-4-13-19)20(14-5-15-20)18(16)10-3-11-18/h1-15H2
InChIKeyUVHHHAWNIPZPTH-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.85
Rot. Bonds

About pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane

pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane (PubChem CID 14899866) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane.

Molecular Properties

Compound Namepentaspiro[3.0.35.0.39.0.313.0.317.04]icosane
PubChem CID14899866
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Namepentaspiro[3.0.35.0.39.0.313.0.317.04]icosane
SMILESC1CC2(C1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1
InChIInChI=1S/C20H30/c1-6-16(7-1)17(8-2-9-17)19(12-4-13-19)20(14-5-15-20)18(16)10-3-11-18/h1-15H2
InChIKeyUVHHHAWNIPZPTH-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane?
The IUPAC name of pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane (CID 14899866) is pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane.
What is the SMILES notation for pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane?
The canonical SMILES for pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane is C1CC2(C1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1.
What is the InChIKey of pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane?
The InChIKey is UVHHHAWNIPZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-6-16(7-1)17(8-2-9-17)19(12-4-13-19)20(14-5-15-20)18(16)10-3-11-18/h1-15H2.
What are the key properties of pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane?
pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane has a molecular weight of 270.46 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentaspiro[3.0.35.0.39.0.313.0.317.04]icosane is sourced from PubChem (CID 14899866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).