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

C11H20O — CID 170081175

IUPAC3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene
SMILESCC1(C)C=C(OC(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-10(2,3)12-9-6-7-11(4,5)8-9/h8H,6-7H2,1-5H3
InChIKeyDGACBIYFXXQLPC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds1

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

3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene (PubChem CID 170081175) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene
PubChem CID170081175
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene
SMILESCC1(C)C=C(OC(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-10(2,3)12-9-6-7-11(4,5)8-9/h8H,6-7H2,1-5H3
InChIKeyDGACBIYFXXQLPC-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene?
The IUPAC name of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene (CID 170081175) is 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene?
The canonical SMILES for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene is CC1(C)C=C(OC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene?
The InChIKey is DGACBIYFXXQLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2,3)12-9-6-7-11(4,5)8-9/h8H,6-7H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene?
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]cyclopentene has a molecular weight of 168.28 g/mol, XLogP of 3.51, 1 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-methylpropan-2-yl)oxy]cyclopentene is sourced from PubChem (CID 170081175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).