2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol

C12H26O — CID 139931222

IUPAC2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol
SMILESCCC(CO)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O/c1-8-12(9-13,10(2,3)4)11(5,6)7/h13H,8-9H2,1-7H3
InChIKeyFRKCTPZZLWBXNP-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds2

About 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol

2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol (PubChem CID 139931222) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol
PubChem CID139931222
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol
SMILESCCC(CO)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O/c1-8-12(9-13,10(2,3)4)11(5,6)7/h13H,8-9H2,1-7H3
InChIKeyFRKCTPZZLWBXNP-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol
CID 87318533
2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
CID 88802194
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
2-(ethylamino)-2-methylpropan-1-ol
CID 15105174
3-ethyl-2,2-dimethylpentane-1,3-diol
CID 130124646
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
alumane;2,2-dimethylpropan-1-ol
CID 174479314
ethanol;tetrachloromethane
CID 23446399
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide
CID 89234417
2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
CID 137410444

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol (CID 139931222) is 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol is CCC(CO)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol?
The InChIKey is FRKCTPZZLWBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-8-12(9-13,10(2,3)4)11(5,6)7/h13H,8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol?
2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 139931222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).