ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol

C12H24O3 — CID 143054678

IUPACethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol
SMILESCC.CCC(O)(CC)C1=CCC(CO)O1
InChIInChI=1S/C10H18O3.C2H6/c1-3-10(12,4-2)9-6-5-8(7-11)13-9;1-2/h6,8,11-12H,3-5,7H2,1-2H3;1-2H3
InChIKeyOGLQYWXAYLZEMJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.23
Rot. Bonds4

About ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol

ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol (PubChem CID 143054678) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol.

Molecular Properties

Compound Nameethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol
PubChem CID143054678
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol
SMILESCC.CCC(O)(CC)C1=CCC(CO)O1
InChIInChI=1S/C10H18O3.C2H6/c1-3-10(12,4-2)9-6-5-8(7-11)13-9;1-2/h6,8,11-12H,3-5,7H2,1-2H3;1-2H3
InChIKeyOGLQYWXAYLZEMJ-UHFFFAOYSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol?
The IUPAC name of ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol (CID 143054678) is ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol.
What is the SMILES notation for ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol?
The canonical SMILES for ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol is CC.CCC(O)(CC)C1=CCC(CO)O1.
What is the InChIKey of ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol?
The InChIKey is OGLQYWXAYLZEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C2H6/c1-3-10(12,4-2)9-6-5-8(7-11)13-9;1-2/h6,8,11-12H,3-5,7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol?
ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol has a molecular weight of 216.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]pentan-3-ol is sourced from PubChem (CID 143054678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).