2-butyl-2-ethyl-4,4-dimethylhexan-1-ol

C14H30O — CID 156689242

IUPAC2-butyl-2-ethyl-4,4-dimethylhexan-1-ol
SMILESCCCCC(CC)(CO)CC(C)(C)CC
InChIInChI=1S/C14H30O/c1-6-9-10-14(8-3,12-15)11-13(4,5)7-2/h15H,6-12H2,1-5H3
InChIKeyGOYQCMFGLHNRGZ-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds8

About 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol

2-butyl-2-ethyl-4,4-dimethylhexan-1-ol (PubChem CID 156689242) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-butyl-2-ethyl-4,4-dimethylhexan-1-ol
PubChem CID156689242
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2-butyl-2-ethyl-4,4-dimethylhexan-1-ol
SMILESCCCCC(CC)(CO)CC(C)(C)CC
InChIInChI=1S/C14H30O/c1-6-9-10-14(8-3,12-15)11-13(4,5)7-2/h15H,6-12H2,1-5H3
InChIKeyGOYQCMFGLHNRGZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
CID 90266979
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-ethylpropane-1,3-diol;1,3,5-tritert-butylbenzene
CID 141204509
2-[(dimethylamino)methyl]-2-ethylhexan-1-ol
CID 18990769
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol?
The IUPAC name of 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol (CID 156689242) is 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol.
What is the SMILES notation for 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol?
The canonical SMILES for 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol is CCCCC(CC)(CO)CC(C)(C)CC.
What is the InChIKey of 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol?
The InChIKey is GOYQCMFGLHNRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-6-9-10-14(8-3,12-15)11-13(4,5)7-2/h15H,6-12H2,1-5H3.
What are the key properties of 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol?
2-butyl-2-ethyl-4,4-dimethylhexan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-4,4-dimethylhexan-1-ol is sourced from PubChem (CID 156689242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).