3-ethenyl-2-methyl-5-pentan-3-yloxolane

C12H21O- — CID 91148813

IUPAC3-ethenyl-2-methyl-5-pentan-3-yloxolane
SMILESC=CC1CC(C([CH-]C)CC)OC1C
InChIInChI=1S/C12H21O/c1-5-10(6-2)12-8-11(7-3)9(4)13-12/h5,7,9-12H,3,6,8H2,1-2,4H3/q-1
InChIKeyLNUKPSOINOZWBC-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.22
Rot. Bonds4

About 3-ethenyl-2-methyl-5-pentan-3-yloxolane

3-ethenyl-2-methyl-5-pentan-3-yloxolane (PubChem CID 91148813) has the molecular formula C12H21O- and a molecular weight of 181.30 g/mol. Its IUPAC name is 3-ethenyl-2-methyl-5-pentan-3-yloxolane.

Molecular Properties

Compound Name3-ethenyl-2-methyl-5-pentan-3-yloxolane
PubChem CID91148813
Molecular FormulaC12H21O-
Molecular Weight181.30 g/mol
Exact Mass181.16
IUPAC Name3-ethenyl-2-methyl-5-pentan-3-yloxolane
SMILESC=CC1CC(C([CH-]C)CC)OC1C
InChIInChI=1S/C12H21O/c1-5-10(6-2)12-8-11(7-3)9(4)13-12/h5,7,9-12H,3,6,8H2,1-2,4H3/q-1
InChIKeyLNUKPSOINOZWBC-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methyl-5-pentan-3-yloxolane?
The IUPAC name of 3-ethenyl-2-methyl-5-pentan-3-yloxolane (CID 91148813) is 3-ethenyl-2-methyl-5-pentan-3-yloxolane.
What is the SMILES notation for 3-ethenyl-2-methyl-5-pentan-3-yloxolane?
The canonical SMILES for 3-ethenyl-2-methyl-5-pentan-3-yloxolane is C=CC1CC(C([CH-]C)CC)OC1C.
What is the InChIKey of 3-ethenyl-2-methyl-5-pentan-3-yloxolane?
The InChIKey is LNUKPSOINOZWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O/c1-5-10(6-2)12-8-11(7-3)9(4)13-12/h5,7,9-12H,3,6,8H2,1-2,4H3/q-1.
What are the key properties of 3-ethenyl-2-methyl-5-pentan-3-yloxolane?
3-ethenyl-2-methyl-5-pentan-3-yloxolane has a molecular weight of 181.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methyl-5-pentan-3-yloxolane is sourced from PubChem (CID 91148813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).