2,2-bis(hydroxymethyl)pentane-1,5-diol

C7H16O4 — CID 22166298

IUPAC2,2-bis(hydroxymethyl)pentane-1,5-diol
SMILESOCCCC(CO)(CO)CO
InChIInChI=1S/C7H16O4/c8-3-1-2-7(4-9,5-10)6-11/h8-11H,1-6H2
InChIKeyVARNEPCYMOJPCT-UHFFFAOYSA-N
MW164.20 g/mol
LogP-1.28
Rot. Bonds6

About 2,2-bis(hydroxymethyl)pentane-1,5-diol

2,2-bis(hydroxymethyl)pentane-1,5-diol (PubChem CID 22166298) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)pentane-1,5-diol.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)pentane-1,5-diol
PubChem CID22166298
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2,2-bis(hydroxymethyl)pentane-1,5-diol
SMILESOCCCC(CO)(CO)CO
InChIInChI=1S/C7H16O4/c8-3-1-2-7(4-9,5-10)6-11/h8-11H,1-6H2
InChIKeyVARNEPCYMOJPCT-UHFFFAOYSA-N
XLogP-1.28
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(hydroxymethyl)pentane-1,5-diol;hydrate
CID 174549164
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2-butyl-2-propylheptane-1,7-diol
CID 151269549
2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
CID 141028756
4,4-dibutyloctan-1-ol
CID 58892760
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422
13,13-bis[12-hydroxy-9-(3-hydroxypropyl)dodecyl]-4,4,22,22-tetrakis(3-hydroxypropyl)pentacosane-1,25-diol
CID 19814918
[5-hydroxy-2-(hydroxymethyl)-2-(nitrooxymethyl)pentyl] nitrate
CID 91131370
hexane-1,6-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 87123368
3,3-diethylhexane-1,6-diol
CID 87792714
2-[8-[10-hydroxy-9,9-bis(hydroxymethyl)decoxy]octyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88594791
2-(hydroxymethyl)-2-methylpentane-1,5-diol
CID 59271141

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)pentane-1,5-diol?
The IUPAC name of 2,2-bis(hydroxymethyl)pentane-1,5-diol (CID 22166298) is 2,2-bis(hydroxymethyl)pentane-1,5-diol.
What is the SMILES notation for 2,2-bis(hydroxymethyl)pentane-1,5-diol?
The canonical SMILES for 2,2-bis(hydroxymethyl)pentane-1,5-diol is OCCCC(CO)(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)pentane-1,5-diol?
The InChIKey is VARNEPCYMOJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c8-3-1-2-7(4-9,5-10)6-11/h8-11H,1-6H2.
What are the key properties of 2,2-bis(hydroxymethyl)pentane-1,5-diol?
2,2-bis(hydroxymethyl)pentane-1,5-diol has a molecular weight of 164.20 g/mol, XLogP of -1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)pentane-1,5-diol is sourced from PubChem (CID 22166298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).