3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane

C20H40 — CID 158072169

IUPAC3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
SMILESCC1(C)CC(C(C)(C)C)C1.CC1(C)CCC(C)(C)CC1
InChIInChI=1S/2C10H20/c1-9(2,3)8-6-10(4,5)7-8;1-9(2)5-7-10(3,4)8-6-9/h8H,6-7H2,1-5H3;5-8H2,1-4H3
InChIKeyFLYJMZOLRDRRRF-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.08
Rot. Bonds

About 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane

3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane (PubChem CID 158072169) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane.

Molecular Properties

Compound Name3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
PubChem CID158072169
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
SMILESCC1(C)CC(C(C)(C)C)C1.CC1(C)CCC(C)(C)CC1
InChIInChI=1S/2C10H20/c1-9(2,3)8-6-10(4,5)7-8;1-9(2)5-7-10(3,4)8-6-9/h8H,6-7H2,1-5H3;5-8H2,1-4H3
InChIKeyFLYJMZOLRDRRRF-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
CID 59984592
2-tert-butylspiro[3.5]nonan-7-ol
CID 171769059
2,6-ditert-butylspiro[3.3]heptane
CID 140647096
6-tert-butylspiro[2.4]heptane
CID 140640828
3-tert-butyl-1-methylcyclohexan-1-ol
CID 58395164
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
3-tert-butyl-1,1-difluorocyclopentane
CID 59458655
3-tert-butyl-1-cyclopropylcyclobutan-1-ol
CID 153289697
2-tert-butyl-8,11-dioxadispiro[3.2.47.24]tridecane
CID 171768926
cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
CID 131133876
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane?
The IUPAC name of 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane (CID 158072169) is 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane.
What is the SMILES notation for 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane?
The canonical SMILES for 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane is CC1(C)CC(C(C)(C)C)C1.CC1(C)CCC(C)(C)CC1.
What is the InChIKey of 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane?
The InChIKey is FLYJMZOLRDRRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20/c1-9(2,3)8-6-10(4,5)7-8;1-9(2)5-7-10(3,4)8-6-9/h8H,6-7H2,1-5H3;5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane?
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane has a molecular weight of 280.54 g/mol, XLogP of 7.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane is sourced from PubChem (CID 158072169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).