1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol

C15H32O — CID 158894957

IUPAC1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
SMILESCC(C)(C)C1(C)CC1.CC(C)C(C)(C)CO
InChIInChI=1S/C8H16.C7H16O/c1-7(2,3)8(4)5-6-8;1-6(2)7(3,4)5-8/h5-6H2,1-4H3;6,8H,5H2,1-4H3
InChIKeyJESIVGGUZOHAPE-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.49
Rot. Bonds2

About 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol

1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol (PubChem CID 158894957) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
PubChem CID158894957
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
SMILESCC(C)(C)C1(C)CC1.CC(C)C(C)(C)CO
InChIInChI=1S/C8H16.C7H16O/c1-7(2,3)8(4)5-6-8;1-6(2)7(3,4)5-8/h5-6H2,1-4H3;6,8H,5H2,1-4H3
InChIKeyJESIVGGUZOHAPE-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
4-tert-butyl-1,4-dimethylcyclohexan-1-ol
CID 167288502
2-(1-methylcyclopropyl)propane-1,2-diol
CID 82710714
1-tert-butyl-1-methylcyclopentane
CID 21351462
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
2,2-dimethylbutane-1,3-diol;methane
CID 158054850
2,2,3,6,6-pentamethylheptan-1-ol
CID 91591586
1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
CID 158339173
4-(2-fluorocyclopropyl)-2,2,3-trimethylbutan-1-ol
CID 123311590
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
CID 159661868

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol?
The IUPAC name of 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol (CID 158894957) is 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol.
What is the SMILES notation for 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol?
The canonical SMILES for 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol is CC(C)(C)C1(C)CC1.CC(C)C(C)(C)CO.
What is the InChIKey of 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol?
The InChIKey is JESIVGGUZOHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H16O/c1-7(2,3)8(4)5-6-8;1-6(2)7(3,4)5-8/h5-6H2,1-4H3;6,8H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol?
1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol has a molecular weight of 228.42 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol is sourced from PubChem (CID 158894957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).