2-(hydroxymethyl)-2-methylpentane-1,5-diol

C7H16O3 — CID 59271141

IUPAC2-(hydroxymethyl)-2-methylpentane-1,5-diol
SMILESCC(CO)(CO)CCCO
InChIInChI=1S/C7H16O3/c1-7(5-9,6-10)3-2-4-8/h8-10H,2-6H2,1H3
InChIKeyLRVJABFINMWJIG-UHFFFAOYSA-N
MW148.20 g/mol
LogP-0.25
Rot. Bonds5

About 2-(hydroxymethyl)-2-methylpentane-1,5-diol

2-(hydroxymethyl)-2-methylpentane-1,5-diol (PubChem CID 59271141) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methylpentane-1,5-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methylpentane-1,5-diol
PubChem CID59271141
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-(hydroxymethyl)-2-methylpentane-1,5-diol
SMILESCC(CO)(CO)CCCO
InChIInChI=1S/C7H16O3/c1-7(5-9,6-10)3-2-4-8/h8-10H,2-6H2,1H3
InChIKeyLRVJABFINMWJIG-UHFFFAOYSA-N
XLogP-0.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-propylpentane-1,5-diol
CID 18956838
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
2,9-diethyl-2,9-dimethyldecane-1,10-diol
CID 3069679
2,11-diethyl-2,11-dimethyldodecane-1,12-diol
CID 3069683
2-[(4-hydroxybutylamino)methyl]-2-methylpropane-1,3-diol
CID 106841911
2-methyl-2-pentylnonan-1-ol
CID 138503898
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methylpentane-1,5-diol?
The IUPAC name of 2-(hydroxymethyl)-2-methylpentane-1,5-diol (CID 59271141) is 2-(hydroxymethyl)-2-methylpentane-1,5-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-methylpentane-1,5-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-methylpentane-1,5-diol is CC(CO)(CO)CCCO.
What is the InChIKey of 2-(hydroxymethyl)-2-methylpentane-1,5-diol?
The InChIKey is LRVJABFINMWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-7(5-9,6-10)3-2-4-8/h8-10H,2-6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-methylpentane-1,5-diol?
2-(hydroxymethyl)-2-methylpentane-1,5-diol has a molecular weight of 148.20 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methylpentane-1,5-diol is sourced from PubChem (CID 59271141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).