1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone

C14H24O2 — CID 116709413

IUPAC1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)C1CCCCCC1)C1CC1
InChIInChI=1S/C14H24O2/c1-2-16-14(12-9-10-12)13(15)11-7-5-3-4-6-8-11/h11-12,14H,2-10H2,1H3
InChIKeyZYGXINIDSBESLX-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds5

About 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone

1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone (PubChem CID 116709413) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone
PubChem CID116709413
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)C1CCCCCC1)C1CC1
InChIInChI=1S/C14H24O2/c1-2-16-14(12-9-10-12)13(15)11-7-5-3-4-6-8-11/h11-12,14H,2-10H2,1H3
InChIKeyZYGXINIDSBESLX-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 552107
3-methyl-1-[(2S,3R)-3-pentyloxiran-2-yl]butan-1-one
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1-[(1R,7S)-8-oxabicyclo[5.1.0]octan-1-yl]propan-1-one
CID 130994606
(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
CID 134965647
1-Cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214332
Ethyl 2-cycloheptyl-2-oxoacetate
CID 18370664
Propan-2-yl 2-cycloheptyl-2-oxoacetate
CID 18370770
2-Methoxy-4-propan-2-ylcycloheptan-1-one
CID 20215447
6-Methyl-8-propan-2-yloxyoctan-2-one
CID 21533803
1-(2-Methoxycycloheptyl)propan-2-one
CID 53734382
7-Oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 57158774
1-[(3R,4S)-3,4,5,6-tetramethyloxan-2-yl]ethanone
CID 57712796

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone?
The IUPAC name of 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone (CID 116709413) is 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone.
What is the SMILES notation for 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone?
The canonical SMILES for 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone is CCOC(C(=O)C1CCCCCC1)C1CC1.
What is the InChIKey of 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone?
The InChIKey is ZYGXINIDSBESLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-16-14(12-9-10-12)13(15)11-7-5-3-4-6-8-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone?
1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone has a molecular weight of 224.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone is sourced from PubChem (CID 116709413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).