2-(2,2-dimethylpropyl)butane-1,4-diol

C9H20O2 — CID 140997808

IUPAC2-(2,2-dimethylpropyl)butane-1,4-diol
SMILESCC(C)(C)CC(CO)CCO
InChIInChI=1S/C9H20O2/c1-9(2,3)6-8(7-11)4-5-10/h8,10-11H,4-7H2,1-3H3
InChIKeyGUTUHRURTPCZRU-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.41
Rot. Bonds4

About 2-(2,2-dimethylpropyl)butane-1,4-diol

2-(2,2-dimethylpropyl)butane-1,4-diol (PubChem CID 140997808) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)butane-1,4-diol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)butane-1,4-diol
PubChem CID140997808
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-(2,2-dimethylpropyl)butane-1,4-diol
SMILESCC(C)(C)CC(CO)CCO
InChIInChI=1S/C9H20O2/c1-9(2,3)6-8(7-11)4-5-10/h8,10-11H,4-7H2,1-3H3
InChIKeyGUTUHRURTPCZRU-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol
CID 118887514
(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517
(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol
CID 118887513
4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
CID 117241786
(3R)-3-amino-5,5-dimethylhexan-1-ol
CID 58554650
methyl (5S)-5-(2-hydroxyethyl)-7,7-dimethyloctanoate
CID 118887519
3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759
boric acid;2-(hydroxymethyl)butane-1,4-diol
CID 88776098
5,5-dimethyl-3-(methylamino)hexan-1-ol
CID 65234930
2-(2,2,4,4-tetramethylpentyl)propane-1,3-diol
CID 59345678
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-ol;2-(2,2-dimethylpropyl)-4,4-dimethylpentan-1-ol
CID 162148938

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)butane-1,4-diol?
The IUPAC name of 2-(2,2-dimethylpropyl)butane-1,4-diol (CID 140997808) is 2-(2,2-dimethylpropyl)butane-1,4-diol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)butane-1,4-diol?
The canonical SMILES for 2-(2,2-dimethylpropyl)butane-1,4-diol is CC(C)(C)CC(CO)CCO.
What is the InChIKey of 2-(2,2-dimethylpropyl)butane-1,4-diol?
The InChIKey is GUTUHRURTPCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-9(2,3)6-8(7-11)4-5-10/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)butane-1,4-diol?
2-(2,2-dimethylpropyl)butane-1,4-diol has a molecular weight of 160.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)butane-1,4-diol is sourced from PubChem (CID 140997808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).