3-methylbut-1-en-2-yloxymethylcyclopentane

C11H20O — CID 58449961

IUPAC3-methylbut-1-en-2-yloxymethylcyclopentane
SMILESC=C(OCC1CCCC1)C(C)C
InChIInChI=1S/C11H20O/c1-9(2)10(3)12-8-11-6-4-5-7-11/h9,11H,3-8H2,1-2H3
InChIKeyDXZXIRBEHCWPRG-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds4

About 3-methylbut-1-en-2-yloxymethylcyclopentane

3-methylbut-1-en-2-yloxymethylcyclopentane (PubChem CID 58449961) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methylbut-1-en-2-yloxymethylcyclopentane.

Molecular Properties

Compound Name3-methylbut-1-en-2-yloxymethylcyclopentane
PubChem CID58449961
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methylbut-1-en-2-yloxymethylcyclopentane
SMILESC=C(OCC1CCCC1)C(C)C
InChIInChI=1S/C11H20O/c1-9(2)10(3)12-8-11-6-4-5-7-11/h9,11H,3-8H2,1-2H3
InChIKeyDXZXIRBEHCWPRG-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-en-2-yloxymethylcyclopentane?
The IUPAC name of 3-methylbut-1-en-2-yloxymethylcyclopentane (CID 58449961) is 3-methylbut-1-en-2-yloxymethylcyclopentane.
What is the SMILES notation for 3-methylbut-1-en-2-yloxymethylcyclopentane?
The canonical SMILES for 3-methylbut-1-en-2-yloxymethylcyclopentane is C=C(OCC1CCCC1)C(C)C.
What is the InChIKey of 3-methylbut-1-en-2-yloxymethylcyclopentane?
The InChIKey is DXZXIRBEHCWPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10(3)12-8-11-6-4-5-7-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-methylbut-1-en-2-yloxymethylcyclopentane?
3-methylbut-1-en-2-yloxymethylcyclopentane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-en-2-yloxymethylcyclopentane is sourced from PubChem (CID 58449961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).