4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol

C10H22O4 — CID 88610757

IUPAC4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol
SMILESCC(CO)CC(C)(OCCO)C(C)O
InChIInChI=1S/C10H22O4/c1-8(7-12)6-10(3,9(2)13)14-5-4-11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyVZBKEUVTVUHMGV-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.15
Rot. Bonds7

About 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol

4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol (PubChem CID 88610757) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol
PubChem CID88610757
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol
SMILESCC(CO)CC(C)(OCCO)C(C)O
InChIInChI=1S/C10H22O4/c1-8(7-12)6-10(3,9(2)13)14-5-4-11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyVZBKEUVTVUHMGV-UHFFFAOYSA-N
XLogP0.15
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol
CID 174219039
2-(2,3-dimethyloctan-3-yloxy)ethanol
CID 142712610
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
3-butoxy-3-methylpentan-2-ol
CID 175045885
2-(2,2,3,4-tetramethylpentan-3-yloxy)ethanol
CID 142712384
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
2-(2,3,4,5-tetramethylhexan-2-yloxy)ethanol
CID 142712545
3-methoxy-3,5-dimethylhexan-2-ol
CID 151114021
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol?
The IUPAC name of 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol (CID 88610757) is 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol.
What is the SMILES notation for 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol?
The canonical SMILES for 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol is CC(CO)CC(C)(OCCO)C(C)O.
What is the InChIKey of 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol?
The InChIKey is VZBKEUVTVUHMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-8(7-12)6-10(3,9(2)13)14-5-4-11/h8-9,11-13H,4-7H2,1-3H3.
What are the key properties of 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol?
4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol has a molecular weight of 206.28 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol is sourced from PubChem (CID 88610757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).