1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one

C12H22O2 — CID 58375746

IUPAC1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(C)(C)OCC(=O)CC1CCCC1
InChIInChI=1S/C12H22O2/c1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10H,4-9H2,1-3H3
InChIKeyGBTWDFJDYDUPAX-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds4

About 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one

1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 58375746) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID58375746
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(C)(C)OCC(=O)CC1CCCC1
InChIInChI=1S/C12H22O2/c1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10H,4-9H2,1-3H3
InChIKeyGBTWDFJDYDUPAX-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 58375746) is 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(C)(C)OCC(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is GBTWDFJDYDUPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,3)14-9-11(13)8-10-6-4-5-7-10/h10H,4-9H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one?
1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 58375746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).