1-(2-methyl-1-propoxycyclopentyl)propan-1-one

C12H22O2 — CID 83226052

IUPAC1-(2-methyl-1-propoxycyclopentyl)propan-1-one
SMILESCCCOC1(C(=O)CC)CCCC1C
InChIInChI=1S/C12H22O2/c1-4-9-14-12(11(13)5-2)8-6-7-10(12)3/h10H,4-9H2,1-3H3
InChIKeyDGQPWYYDJFTACM-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-methyl-1-propoxycyclopentyl)propan-1-one

1-(2-methyl-1-propoxycyclopentyl)propan-1-one (PubChem CID 83226052) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-methyl-1-propoxycyclopentyl)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1-propoxycyclopentyl)propan-1-one
PubChem CID83226052
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(2-methyl-1-propoxycyclopentyl)propan-1-one
SMILESCCCOC1(C(=O)CC)CCCC1C
InChIInChI=1S/C12H22O2/c1-4-9-14-12(11(13)5-2)8-6-7-10(12)3/h10H,4-9H2,1-3H3
InChIKeyDGQPWYYDJFTACM-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(2-methyl-1-propoxycyclopentyl)propan-1-one?
The IUPAC name of 1-(2-methyl-1-propoxycyclopentyl)propan-1-one (CID 83226052) is 1-(2-methyl-1-propoxycyclopentyl)propan-1-one.
What is the SMILES notation for 1-(2-methyl-1-propoxycyclopentyl)propan-1-one?
The canonical SMILES for 1-(2-methyl-1-propoxycyclopentyl)propan-1-one is CCCOC1(C(=O)CC)CCCC1C.
What is the InChIKey of 1-(2-methyl-1-propoxycyclopentyl)propan-1-one?
The InChIKey is DGQPWYYDJFTACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-9-14-12(11(13)5-2)8-6-7-10(12)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2-methyl-1-propoxycyclopentyl)propan-1-one?
1-(2-methyl-1-propoxycyclopentyl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propoxycyclopentyl)propan-1-one is sourced from PubChem (CID 83226052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).