1-cyclopentyl-2-cyclopropyl-2-methoxyethanone

C11H18O2 — CID 116709099

IUPAC1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)C1CCCC1)C1CC1
InChIInChI=1S/C11H18O2/c1-13-11(9-6-7-9)10(12)8-4-2-3-5-8/h8-9,11H,2-7H2,1H3
InChIKeyDTNXDFVHLWPPOB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.17
Rot. Bonds4

About 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone

1-cyclopentyl-2-cyclopropyl-2-methoxyethanone (PubChem CID 116709099) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
PubChem CID116709099
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)C1CCCC1)C1CC1
InChIInChI=1S/C11H18O2/c1-13-11(9-6-7-9)10(12)8-4-2-3-5-8/h8-9,11H,2-7H2,1H3
InChIKeyDTNXDFVHLWPPOB-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopentyl-2-methoxyethan-1-one
CID 13108541
1-Cyclopentyl-3-ethoxypropan-2-one
CID 316616
(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
CID 134965647
(2-Oxocyclopentyl) 2-ethylheptanoate
CID 20185575
3-Ethyl-2-methoxycyclopentan-1-one
CID 57100658
7-Oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 57158774
1-Cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 58375746
1-(2-Ethylcyclopropyl)-2-methoxyethanone
CID 59014234
2-(Cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143468
1-Cyclopentyl-2-ethoxy-5-methylhexan-3-one
CID 59143471
2-(Cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143476
1-Cyclopentyl-5-methyl-2-propoxyhexan-3-one
CID 59143484

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone?
The IUPAC name of 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone (CID 116709099) is 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone.
What is the SMILES notation for 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone?
The canonical SMILES for 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone is COC(C(=O)C1CCCC1)C1CC1.
What is the InChIKey of 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone?
The InChIKey is DTNXDFVHLWPPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-13-11(9-6-7-9)10(12)8-4-2-3-5-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone?
1-cyclopentyl-2-cyclopropyl-2-methoxyethanone has a molecular weight of 182.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-cyclopropyl-2-methoxyethanone is sourced from PubChem (CID 116709099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).