(5S)-5-ethenyl-5-methyloxolan-2-ol

C7H12O2 — CID 15241028

IUPAC(5S)-5-ethenyl-5-methyloxolan-2-ol
SMILESC=C[C@]1(C)CCC(O)O1
InChIInChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3,6,8H,1,4-5H2,2H3/t6?,7-/m1/s1
InChIKeyBIJAVMAZHUQEJX-COBSHVIPSA-N
MW128.17 g/mol
LogP1.06
Rot. Bonds1

About (5S)-5-ethenyl-5-methyloxolan-2-ol

(5S)-5-ethenyl-5-methyloxolan-2-ol (PubChem CID 15241028) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (5S)-5-ethenyl-5-methyloxolan-2-ol.

Molecular Properties

Compound Name(5S)-5-ethenyl-5-methyloxolan-2-ol
PubChem CID15241028
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(5S)-5-ethenyl-5-methyloxolan-2-ol
SMILESC=C[C@]1(C)CCC(O)O1
InChIInChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3,6,8H,1,4-5H2,2H3/t6?,7-/m1/s1
InChIKeyBIJAVMAZHUQEJX-COBSHVIPSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.06
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 (5S)-5-ethenyl-5-methyloxolan-2-ol?
The IUPAC name of (5S)-5-ethenyl-5-methyloxolan-2-ol (CID 15241028) is (5S)-5-ethenyl-5-methyloxolan-2-ol.
What is the SMILES notation for (5S)-5-ethenyl-5-methyloxolan-2-ol?
The canonical SMILES for (5S)-5-ethenyl-5-methyloxolan-2-ol is C=C[C@]1(C)CCC(O)O1.
What is the InChIKey of (5S)-5-ethenyl-5-methyloxolan-2-ol?
The InChIKey is BIJAVMAZHUQEJX-COBSHVIPSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3,6,8H,1,4-5H2,2H3/t6?,7-/m1/s1.
What are the key properties of (5S)-5-ethenyl-5-methyloxolan-2-ol?
(5S)-5-ethenyl-5-methyloxolan-2-ol has a molecular weight of 128.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-5-methyloxolan-2-ol is sourced from PubChem (CID 15241028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).