Ethane;2-(hydroxymethyl)pentane-1,2,5-triol

Name: Ethane;2-(hydroxymethyl)pentane-1,2,5-triol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₂₀O₄ — CID 175523236

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethane;2-(hydroxymethyl)pentane-1,2,5-triol

SMILESCC.OCCCC(O)(CO)CO

InChIInChI=1S/C6H14O4.C2H6/c7-3-1-2-6(10,4-8)5-9;1-2/h7-10H,1-5H2;1-2H3

InChIKeyOBYLTYXHWYGBRR-UHFFFAOYSA-N

MW180.24 g/mol

LogP-0.50

Rot. Bonds5

About Ethane;2-(hydroxymethyl)pentane-1,2,5-triol

Ethane;2-(hydroxymethyl)pentane-1,2,5-triol (PubChem CID 175523236) has the molecular formula C₈H₂₀O₄ and a molecular weight of 180.24 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)pentane-1,2,5-triol.

Molecular Properties

Compound Name	Ethane;2-(hydroxymethyl)pentane-1,2,5-triol
PubChem CID	175523236
Molecular Formula	C₈H₂₀O₄
Molecular Weight	180.24 g/mol
Exact Mass	180.14
IUPAC Name	ethane;2-(hydroxymethyl)pentane-1,2,5-triol
SMILES	CC.OCCCC(O)(CO)CO
InChI	InChI=1S/C6H14O4.C2H6/c7-3-1-2-6(10,4-8)5-9;1-2/h7-10H,1-5H2;1-2H3
InChIKey	OBYLTYXHWYGBRR-UHFFFAOYSA-N
XLogP	-0.50
TPSA	80.92 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.24
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethane;2-(hydroxymethyl)pentane-1,2,5-triol?

The IUPAC name of Ethane;2-(hydroxymethyl)pentane-1,2,5-triol (CID 175523236) is ethane;2-(hydroxymethyl)pentane-1,2,5-triol.

What is the SMILES notation for Ethane;2-(hydroxymethyl)pentane-1,2,5-triol?

The canonical SMILES for Ethane;2-(hydroxymethyl)pentane-1,2,5-triol is CC.OCCCC(O)(CO)CO.

What is the InChIKey of Ethane;2-(hydroxymethyl)pentane-1,2,5-triol?

The InChIKey is OBYLTYXHWYGBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C2H6/c7-3-1-2-6(10,4-8)5-9;1-2/h7-10H,1-5H2;1-2H3.

What are the key properties of Ethane;2-(hydroxymethyl)pentane-1,2,5-triol?

Ethane;2-(hydroxymethyl)pentane-1,2,5-triol has a molecular weight of 180.24 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-(hydroxymethyl)pentane-1,2,5-triol is sourced from PubChem (CID 175523236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 175523236 — identifiers, structure, computed properties (public domain)

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