12-tert-butyldispiro[5.2.59.26]hexadecane

C20H36 — CID 140778143

IUPAC12-tert-butyldispiro[5.2.59.26]hexadecane
SMILESCC(C)(C)C1CCC2(CC1)CCC1(CCCCC1)CC2
InChIInChI=1S/C20H36/c1-18(2,3)17-7-11-20(12-8-17)15-13-19(14-16-20)9-5-4-6-10-19/h17H,4-16H2,1-3H3
InChIKeyGORMKJNEOCXWDY-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.73
Rot. Bonds

About 12-tert-butyldispiro[5.2.59.26]hexadecane

12-tert-butyldispiro[5.2.59.26]hexadecane (PubChem CID 140778143) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 12-tert-butyldispiro[5.2.59.26]hexadecane.

Molecular Properties

Compound Name12-tert-butyldispiro[5.2.59.26]hexadecane
PubChem CID140778143
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name12-tert-butyldispiro[5.2.59.26]hexadecane
SMILESCC(C)(C)C1CCC2(CC1)CCC1(CCCCC1)CC2
InChIInChI=1S/C20H36/c1-18(2,3)17-7-11-20(12-8-17)15-13-19(14-16-20)9-5-4-6-10-19/h17H,4-16H2,1-3H3
InChIKeyGORMKJNEOCXWDY-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 12-tert-butyldispiro[5.2.59.26]hexadecane?
The IUPAC name of 12-tert-butyldispiro[5.2.59.26]hexadecane (CID 140778143) is 12-tert-butyldispiro[5.2.59.26]hexadecane.
What is the SMILES notation for 12-tert-butyldispiro[5.2.59.26]hexadecane?
The canonical SMILES for 12-tert-butyldispiro[5.2.59.26]hexadecane is CC(C)(C)C1CCC2(CC1)CCC1(CCCCC1)CC2.
What is the InChIKey of 12-tert-butyldispiro[5.2.59.26]hexadecane?
The InChIKey is GORMKJNEOCXWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-18(2,3)17-7-11-20(12-8-17)15-13-19(14-16-20)9-5-4-6-10-19/h17H,4-16H2,1-3H3.
What are the key properties of 12-tert-butyldispiro[5.2.59.26]hexadecane?
12-tert-butyldispiro[5.2.59.26]hexadecane has a molecular weight of 276.51 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-tert-butyldispiro[5.2.59.26]hexadecane is sourced from PubChem (CID 140778143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).