3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene

C13H24O — CID 174144257

IUPAC3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene
SMILESCC1(C)C=C(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H24O/c1-12(2,3)14-9-7-11-6-8-13(4,5)10-11/h10H,6-9H2,1-5H3
InChIKeyGNELIBYUXBFQAB-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds3

About 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene

3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene (PubChem CID 174144257) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene
PubChem CID174144257
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene
SMILESCC1(C)C=C(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H24O/c1-12(2,3)14-9-7-11-6-8-13(4,5)10-11/h10H,6-9H2,1-5H3
InChIKeyGNELIBYUXBFQAB-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
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 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene?
The IUPAC name of 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene (CID 174144257) is 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene.
What is the SMILES notation for 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene?
The canonical SMILES for 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene is CC1(C)C=C(CCOC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene?
The InChIKey is GNELIBYUXBFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-12(2,3)14-9-7-11-6-8-13(4,5)10-11/h10H,6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene?
3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene has a molecular weight of 196.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentene is sourced from PubChem (CID 174144257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).