[3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol

C11H22O3 — CID 57234361

IUPAC[3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol
SMILESCCCCCC1OCCC1(CO)CO
InChIInChI=1S/C11H22O3/c1-2-3-4-5-10-11(8-12,9-13)6-7-14-10/h10,12-13H,2-9H2,1H3
InChIKeyOZVXCCJLTQWSSO-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.33
Rot. Bonds6

About [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol

[3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol (PubChem CID 57234361) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol
PubChem CID57234361
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name[3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol
SMILESCCCCCC1OCCC1(CO)CO
InChIInChI=1S/C11H22O3/c1-2-3-4-5-10-11(8-12,9-13)6-7-14-10/h10,12-13H,2-9H2,1H3
InChIKeyOZVXCCJLTQWSSO-UHFFFAOYSA-N
XLogP1.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol (CID 57234361) is [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol is CCCCCC1OCCC1(CO)CO.
What is the InChIKey of [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol?
The InChIKey is OZVXCCJLTQWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-3-4-5-10-11(8-12,9-13)6-7-14-10/h10,12-13H,2-9H2,1H3.
What are the key properties of [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol?
[3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol has a molecular weight of 202.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2-pentyloxolan-3-yl]methanol is sourced from PubChem (CID 57234361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).