trispiro[4.1.1.49.27.25]heptadecane

C17H28 — CID 101483794

IUPACtrispiro[4.1.1.49.27.25]heptadecane
SMILESC1CCC2(C1)CCC1(CCC3(CCCC3)C1)C2
InChIInChI=1S/C17H28/c1-2-6-15(5-1)9-11-17(13-15)12-10-16(14-17)7-3-4-8-16/h1-14H2
InChIKeyHGJVVOPCLFKSDS-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.46
Rot. Bonds

About trispiro[4.1.1.49.27.25]heptadecane

trispiro[4.1.1.49.27.25]heptadecane (PubChem CID 101483794) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is trispiro[4.1.1.49.27.25]heptadecane.

Molecular Properties

Compound Nametrispiro[4.1.1.49.27.25]heptadecane
PubChem CID101483794
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nametrispiro[4.1.1.49.27.25]heptadecane
SMILESC1CCC2(C1)CCC1(CCC3(CCCC3)C1)C2
InChIInChI=1S/C17H28/c1-2-6-15(5-1)9-11-17(13-15)12-10-16(14-17)7-3-4-8-16/h1-14H2
InChIKeyHGJVVOPCLFKSDS-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trispiro[4.1.1.49.27.25]heptadecane?
The IUPAC name of trispiro[4.1.1.49.27.25]heptadecane (CID 101483794) is trispiro[4.1.1.49.27.25]heptadecane.
What is the SMILES notation for trispiro[4.1.1.49.27.25]heptadecane?
The canonical SMILES for trispiro[4.1.1.49.27.25]heptadecane is C1CCC2(C1)CCC1(CCC3(CCCC3)C1)C2.
What is the InChIKey of trispiro[4.1.1.49.27.25]heptadecane?
The InChIKey is HGJVVOPCLFKSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-2-6-15(5-1)9-11-17(13-15)12-10-16(14-17)7-3-4-8-16/h1-14H2.
What are the key properties of trispiro[4.1.1.49.27.25]heptadecane?
trispiro[4.1.1.49.27.25]heptadecane has a molecular weight of 232.41 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trispiro[4.1.1.49.27.25]heptadecane is sourced from PubChem (CID 101483794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).