2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol

C13H26O — CID 90739279

IUPAC2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol
SMILESCCC(C)(C)CC1C(O)CC1(C)CC
InChIInChI=1S/C13H26O/c1-6-12(3,4)8-10-11(14)9-13(10,5)7-2/h10-11,14H,6-9H2,1-5H3
InChIKeyYWBMNOBPQOIPNM-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds4

About 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol

2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol (PubChem CID 90739279) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol
PubChem CID90739279
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol
SMILESCCC(C)(C)CC1C(O)CC1(C)CC
InChIInChI=1S/C13H26O/c1-6-12(3,4)8-10-11(14)9-13(10,5)7-2/h10-11,14H,6-9H2,1-5H3
InChIKeyYWBMNOBPQOIPNM-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
CID 123695523
1,1-dichloro-2-(2,2-dimethylbutyl)cyclopropane
CID 89112098
7-(2,2-dimethylbutyl)-12-ethyl-2,8-dimethylpentacyclo[6.3.1.02,6.03,9.05,11]dodecane
CID 90974743
2,3-bis(2,2-dimethylbutyl)-2-methyloxirane
CID 90226520
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide
CID 167229791
1-(2,2-dimethylbutyl)-3-ethylcyclopentane
CID 91360585
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 130126601
1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane
CID 121274275
2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
CID 123152522
2-(2-hydroxy-2-methylpropyl)-1-methylcyclopropan-1-ol
CID 15327064

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol?
The IUPAC name of 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol (CID 90739279) is 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol?
The canonical SMILES for 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol is CCC(C)(C)CC1C(O)CC1(C)CC.
What is the InChIKey of 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol?
The InChIKey is YWBMNOBPQOIPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-12(3,4)8-10-11(14)9-13(10,5)7-2/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol?
2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-3-ethyl-3-methylcyclobutan-1-ol is sourced from PubChem (CID 90739279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).