1,2,3,4-tetratert-butylcyclobutane

C20H40 — CID 164732302

IUPAC1,2,3,4-tetratert-butylcyclobutane
SMILESCC(C)(C)C1C(C(C)(C)C)C(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C20H40/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9/h13-16H,1-12H3
InChIKeyMVSJHHKZYCFZEW-UHFFFAOYSA-N
MW280.54 g/mol
LogP6.65
Rot. Bonds

About 1,2,3,4-tetratert-butylcyclobutane

1,2,3,4-tetratert-butylcyclobutane (PubChem CID 164732302) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1,2,3,4-tetratert-butylcyclobutane.

Molecular Properties

Compound Name1,2,3,4-tetratert-butylcyclobutane
PubChem CID164732302
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1,2,3,4-tetratert-butylcyclobutane
SMILESCC(C)(C)C1C(C(C)(C)C)C(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C20H40/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9/h13-16H,1-12H3
InChIKeyMVSJHHKZYCFZEW-UHFFFAOYSA-N
XLogP6.65
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 ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetratert-butylcyclobutane?
The IUPAC name of 1,2,3,4-tetratert-butylcyclobutane (CID 164732302) is 1,2,3,4-tetratert-butylcyclobutane.
What is the SMILES notation for 1,2,3,4-tetratert-butylcyclobutane?
The canonical SMILES for 1,2,3,4-tetratert-butylcyclobutane is CC(C)(C)C1C(C(C)(C)C)C(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 1,2,3,4-tetratert-butylcyclobutane?
The InChIKey is MVSJHHKZYCFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-17(2,3)13-14(18(4,5)6)16(20(10,11)12)15(13)19(7,8)9/h13-16H,1-12H3.
What are the key properties of 1,2,3,4-tetratert-butylcyclobutane?
1,2,3,4-tetratert-butylcyclobutane has a molecular weight of 280.54 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetratert-butylcyclobutane is sourced from PubChem (CID 164732302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).