hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane

C24H36 — CID 14899878

IUPAChexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane
SMILESC1CC2(C1)C1(CCC1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1
InChIInChI=1S/C24H36/c1-7-19(8-1)20(9-2-10-20)22(13-4-14-22)24(17-6-18-24)23(15-5-16-23)21(19)11-3-12-21/h1-18H2
InChIKeyCMRIAIPPUUZZRX-UHFFFAOYSA-N
MW324.55 g/mol
LogP7.02
Rot. Bonds

About hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane

hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane (PubChem CID 14899878) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane.

Molecular Properties

Compound Namehexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane
PubChem CID14899878
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Namehexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane
SMILESC1CC2(C1)C1(CCC1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1
InChIInChI=1S/C24H36/c1-7-19(8-1)20(9-2-10-20)22(13-4-14-22)24(17-6-18-24)23(15-5-16-23)21(19)11-3-12-21/h1-18H2
InChIKeyCMRIAIPPUUZZRX-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane?
The IUPAC name of hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane (CID 14899878) is hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane.
What is the SMILES notation for hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane?
The canonical SMILES for hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane is C1CC2(C1)C1(CCC1)C1(CCC1)C1(CCC1)C1(CCC1)C21CCC1.
What is the InChIKey of hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane?
The InChIKey is CMRIAIPPUUZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36/c1-7-19(8-1)20(9-2-10-20)22(13-4-14-22)24(17-6-18-24)23(15-5-16-23)21(19)11-3-12-21/h1-18H2.
What are the key properties of hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane?
hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane has a molecular weight of 324.55 g/mol, XLogP of 7.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane is sourced from PubChem (CID 14899878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).