3-methylbut-2-enoxycyclopentane

C10H18O — CID 21270360

IUPAC3-methylbut-2-enoxycyclopentane
SMILESCC(C)=CCOC1CCCC1
InChIInChI=1S/C10H18O/c1-9(2)7-8-11-10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyHMUHXJVITFWOEE-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds3

About 3-methylbut-2-enoxycyclopentane

3-methylbut-2-enoxycyclopentane (PubChem CID 21270360) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methylbut-2-enoxycyclopentane.

Molecular Properties

Compound Name3-methylbut-2-enoxycyclopentane
PubChem CID21270360
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methylbut-2-enoxycyclopentane
SMILESCC(C)=CCOC1CCCC1
InChIInChI=1S/C10H18O/c1-9(2)7-8-11-10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyHMUHXJVITFWOEE-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methylbut-2-enoxycyclopentane?
The IUPAC name of 3-methylbut-2-enoxycyclopentane (CID 21270360) is 3-methylbut-2-enoxycyclopentane.
What is the SMILES notation for 3-methylbut-2-enoxycyclopentane?
The canonical SMILES for 3-methylbut-2-enoxycyclopentane is CC(C)=CCOC1CCCC1.
What is the InChIKey of 3-methylbut-2-enoxycyclopentane?
The InChIKey is HMUHXJVITFWOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)7-8-11-10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 3-methylbut-2-enoxycyclopentane?
3-methylbut-2-enoxycyclopentane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enoxycyclopentane is sourced from PubChem (CID 21270360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).