3-[(2-methylpropan-2-yl)oxy]cyclopentene

C9H16O — CID 18541563

IUPAC3-[(2-methylpropan-2-yl)oxy]cyclopentene
SMILESCC(C)(C)OC1C=CCC1
InChIInChI=1S/C9H16O/c1-9(2,3)10-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3
InChIKeyIXTVPKLXYMEYEP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]cyclopentene

3-[(2-methylpropan-2-yl)oxy]cyclopentene (PubChem CID 18541563) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]cyclopentene.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]cyclopentene
PubChem CID18541563
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]cyclopentene
SMILESCC(C)(C)OC1C=CCC1
InChIInChI=1S/C9H16O/c1-9(2,3)10-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3
InChIKeyIXTVPKLXYMEYEP-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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-[(2-methylpropan-2-yl)oxy]cyclopentene?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]cyclopentene (CID 18541563) is 3-[(2-methylpropan-2-yl)oxy]cyclopentene.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]cyclopentene?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]cyclopentene is CC(C)(C)OC1C=CCC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]cyclopentene?
The InChIKey is IXTVPKLXYMEYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2,3)10-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]cyclopentene?
3-[(2-methylpropan-2-yl)oxy]cyclopentene has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]cyclopentene is sourced from PubChem (CID 18541563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).