2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol

C10H18O2 — CID 526973

IUPAC2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol
SMILESC=CC1(C)CCC(C(C)CO)O1
InChIInChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyVUEGXHXUMOZKKN-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds3

About 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol

2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol (PubChem CID 526973) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol
PubChem CID526973
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol
SMILESC=CC1(C)CCC(C(C)CO)O1
InChIInChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyVUEGXHXUMOZKKN-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyloxolan-2-yl)propan-1-ol?
The IUPAC name of 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol (CID 526973) is 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol?
The canonical SMILES for 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol is C=CC1(C)CCC(C(C)CO)O1.
What is the InChIKey of 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol?
The InChIKey is VUEGXHXUMOZKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol?
2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol is sourced from PubChem (CID 526973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).