2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol

C10H18O3 — CID 13060372

IUPAC2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol
SMILESC=CC1(CO)CCC(C(C)(C)O)O1
InChIInChI=1S/C10H18O3/c1-4-10(7-11)6-5-8(13-10)9(2,3)12/h4,8,11-12H,1,5-7H2,2-3H3
InChIKeyGEFKCBVNZZMNLH-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.85
Rot. Bonds3

About 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol

2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol (PubChem CID 13060372) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol
PubChem CID13060372
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol
SMILESC=CC1(CO)CCC(C(C)(C)O)O1
InChIInChI=1S/C10H18O3/c1-4-10(7-11)6-5-8(13-10)9(2,3)12/h4,8,11-12H,1,5-7H2,2-3H3
InChIKeyGEFKCBVNZZMNLH-UHFFFAOYSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol (CID 13060372) is 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol is C=CC1(CO)CCC(C(C)(C)O)O1.
What is the InChIKey of 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol?
The InChIKey is GEFKCBVNZZMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10(7-11)6-5-8(13-10)9(2,3)12/h4,8,11-12H,1,5-7H2,2-3H3.
What are the key properties of 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol?
2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol has a molecular weight of 186.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol is sourced from PubChem (CID 13060372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).