1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone

C14H22O2 — CID 106652233

IUPAC1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)C1=CCCCCC1)C1CC1
InChIInChI=1S/C14H22O2/c1-2-16-14(12-9-10-12)13(15)11-7-5-3-4-6-8-11/h7,12,14H,2-6,8-10H2,1H3
InChIKeyQIOWVPRULNIRMK-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds5

About 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone

1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone (PubChem CID 106652233) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone
PubChem CID106652233
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)C1=CCCCCC1)C1CC1
InChIInChI=1S/C14H22O2/c1-2-16-14(12-9-10-12)13(15)11-7-5-3-4-6-8-11/h7,12,14H,2-6,8-10H2,1H3
InChIKeyQIOWVPRULNIRMK-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 545472
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Ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
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5-Butoxy-3-(2-cycloheptylcyclopropyl)-5-methylcyclopent-2-en-1-one
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(Z)-1-(cyclohexen-1-yl)-2-methoxy-3,5-dimethylhex-2-en-1-one
CID 11195722
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CID 62077977
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone (CID 106652233) is 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone is CCOC(C(=O)C1=CCCCCC1)C1CC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone?
The InChIKey is QIOWVPRULNIRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-16-14(12-9-10-12)13(15)11-7-5-3-4-6-8-11/h7,12,14H,2-6,8-10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone?
1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone has a molecular weight of 222.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-cyclopropyl-2-ethoxyethanone is sourced from PubChem (CID 106652233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).