2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol

C13H28O — CID 156689440

IUPAC2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-6-8-9-13(7-2,11-14)10-12(3,4)5/h14H,6-11H2,1-5H3
InChIKeyHXQOTBKOFHHISP-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds6

About 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol

2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol (PubChem CID 156689440) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
PubChem CID156689440
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-6-8-9-13(7-2,11-14)10-12(3,4)5/h14H,6-11H2,1-5H3
InChIKeyHXQOTBKOFHHISP-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol (CID 156689440) is 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol is CCCCC(CC)(CO)CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol?
The InChIKey is HXQOTBKOFHHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-6-8-9-13(7-2,11-14)10-12(3,4)5/h14H,6-11H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol?
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol is sourced from PubChem (CID 156689440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).