1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane

C65H130 — CID 161041308

IUPAC1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
SMILESCC(C)(C)C1CC1C(C)(C)C.CC(C)(C)C1CCC1C(C)(C)C.CC(C)(C)C1CCCC1C(C)(C)C.CC(C)(C)C1CCCCC1C(C)(C)C.CC(C)(C)C1CCCCCC1C(C)(C)C
InChIInChI=1S/C15H30.C14H28.C13H26.C12H24.C11H22/c1-14(2,3)12-10-8-7-9-11-13(12)15(4,5)6;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)9-7-8-10(9)12(4,5)6;1-10(2,3)8-7-9(8)11(4,5)6/h12-13H,7-11H2,1-6H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;8-9H,7H2,1-6H3
InChIKeyUAXNNMMBMREPAO-UHFFFAOYSA-N
MW911.75 g/mol
LogP22.47
Rot. Bonds

About 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane

1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane (PubChem CID 161041308) has the molecular formula C65H130 and a molecular weight of 911.75 g/mol. Its IUPAC name is 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane.

Molecular Properties

Compound Name1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
PubChem CID161041308
Molecular FormulaC65H130
Molecular Weight911.75 g/mol
Exact Mass911.02
IUPAC Name1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
SMILESCC(C)(C)C1CC1C(C)(C)C.CC(C)(C)C1CCC1C(C)(C)C.CC(C)(C)C1CCCC1C(C)(C)C.CC(C)(C)C1CCCCC1C(C)(C)C.CC(C)(C)C1CCCCCC1C(C)(C)C
InChIInChI=1S/C15H30.C14H28.C13H26.C12H24.C11H22/c1-14(2,3)12-10-8-7-9-11-13(12)15(4,5)6;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)9-7-8-10(9)12(4,5)6;1-10(2,3)8-7-9(8)11(4,5)6/h12-13H,7-11H2,1-6H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;8-9H,7H2,1-6H3
InChIKeyUAXNNMMBMREPAO-UHFFFAOYSA-N
XLogP22.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.75
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane with MolForge

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Related Compounds

1,2-ditert-butylcyclobutane;1,2-ditert-butylcyclohexane;1,3-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161413124
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
1,3-ditert-butylcyclobutane;1,4-ditert-butylcycloheptane;1,3-ditert-butylcyclohexane;1,4-ditert-butylcyclohexane;1,3-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 159836238
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine
CID 176827800
[(1S,2S)-2-tert-butylcyclohexyl]azanium
CID 7740789
1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 158093658
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane?
The IUPAC name of 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane (CID 161041308) is 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane.
What is the SMILES notation for 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane?
The canonical SMILES for 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane is CC(C)(C)C1CC1C(C)(C)C.CC(C)(C)C1CCC1C(C)(C)C.CC(C)(C)C1CCCC1C(C)(C)C.CC(C)(C)C1CCCCC1C(C)(C)C.CC(C)(C)C1CCCCCC1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane?
The InChIKey is UAXNNMMBMREPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30.C14H28.C13H26.C12H24.C11H22/c1-14(2,3)12-10-8-7-9-11-13(12)15(4,5)6;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)9-7-8-10(9)12(4,5)6;1-10(2,3)8-7-9(8)11(4,5)6/h12-13H,7-11H2,1-6H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;9-10H,7-8H2,1-6H3;8-9H,7H2,1-6H3.
What are the key properties of 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane?
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane has a molecular weight of 911.75 g/mol, XLogP of 22.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane is sourced from PubChem (CID 161041308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).