6-tert-butylspiro[2.4]heptane

C11H20 — CID 140640828

IUPAC6-tert-butylspiro[2.4]heptane
SMILESCC(C)(C)C1CCC2(CC2)C1
InChIInChI=1S/C11H20/c1-10(2,3)9-4-5-11(8-9)6-7-11/h9H,4-8H2,1-3H3
InChIKeyGRXBNJKADFDGBL-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds

About 6-tert-butylspiro[2.4]heptane

6-tert-butylspiro[2.4]heptane (PubChem CID 140640828) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 6-tert-butylspiro[2.4]heptane.

Molecular Properties

Compound Name6-tert-butylspiro[2.4]heptane
PubChem CID140640828
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name6-tert-butylspiro[2.4]heptane
SMILESCC(C)(C)C1CCC2(CC2)C1
InChIInChI=1S/C11H20/c1-10(2,3)9-4-5-11(8-9)6-7-11/h9H,4-8H2,1-3H3
InChIKeyGRXBNJKADFDGBL-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6R)-6-tert-butyl-2-azaspiro[3.4]octane
CID 171594496
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
7-tert-butylspiro[3.5]nonane
CID 123908402
2,6-ditert-butylspiro[3.3]heptane
CID 140647096
2-tert-butylspiro[3.5]nonan-7-ol
CID 171769059
2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
CID 161082636
3-tert-butyl-1,1-difluorocyclopentane
CID 59458655
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
CID 171768926
1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylspiro[2.4]heptane?
The IUPAC name of 6-tert-butylspiro[2.4]heptane (CID 140640828) is 6-tert-butylspiro[2.4]heptane.
What is the SMILES notation for 6-tert-butylspiro[2.4]heptane?
The canonical SMILES for 6-tert-butylspiro[2.4]heptane is CC(C)(C)C1CCC2(CC2)C1.
What is the InChIKey of 6-tert-butylspiro[2.4]heptane?
The InChIKey is GRXBNJKADFDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2,3)9-4-5-11(8-9)6-7-11/h9H,4-8H2,1-3H3.
What are the key properties of 6-tert-butylspiro[2.4]heptane?
6-tert-butylspiro[2.4]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylspiro[2.4]heptane is sourced from PubChem (CID 140640828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).