2-butyl-2-ethyl-5,5-dimethylhexan-1-ol

C14H30O — CID 66057661

IUPAC2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
SMILESCCCCC(CC)(CO)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-6-8-9-14(7-2,12-15)11-10-13(3,4)5/h15H,6-12H2,1-5H3
InChIKeyNXIKRIJIDMLRIC-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds7

About 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol

2-butyl-2-ethyl-5,5-dimethylhexan-1-ol (PubChem CID 66057661) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
PubChem CID66057661
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
SMILESCCCCC(CC)(CO)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-6-8-9-14(7-2,12-15)11-10-13(3,4)5/h15H,6-12H2,1-5H3
InChIKeyNXIKRIJIDMLRIC-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-butyl-2-ethyl-4,4-dimethylhexan-1-ol
CID 156689242
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
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
2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
CID 90266979
2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol
CID 146506376

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol?
The IUPAC name of 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol (CID 66057661) is 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol?
The canonical SMILES for 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol is CCCCC(CC)(CO)CCC(C)(C)C.
What is the InChIKey of 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol?
The InChIKey is NXIKRIJIDMLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-6-8-9-14(7-2,12-15)11-10-13(3,4)5/h15H,6-12H2,1-5H3.
What are the key properties of 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol?
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 66057661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).