cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone

C15H24O3 — CID 106652265

IUPACcyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCOCC1
InChIInChI=1S/C15H24O3/c1-2-18-15(9-11-17-12-10-15)14(16)13-7-5-3-4-6-8-13/h7H,2-6,8-12H2,1H3
InChIKeyZYTWVAHAZHTKEE-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.03
Rot. Bonds4

About cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone

cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone (PubChem CID 106652265) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
PubChem CID106652265
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namecyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCOCC1
InChIInChI=1S/C15H24O3/c1-2-18-15(9-11-17-12-10-15)14(16)13-7-5-3-4-6-8-13/h7H,2-6,8-12H2,1H3
InChIKeyZYTWVAHAZHTKEE-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cycloocten-1-yl-(4-methoxyoxan-4-yl)methanone
CID 106652262
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
CID 102647062
cycloocten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652256
cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
CID 102647051
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
CID 106655611
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone (CID 106652265) is cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone is CCOC1(C(=O)C2=CCCCCC2)CCOCC1.
What is the InChIKey of cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone?
The InChIKey is ZYTWVAHAZHTKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-18-15(9-11-17-12-10-15)14(16)13-7-5-3-4-6-8-13/h7H,2-6,8-12H2,1H3.
What are the key properties of cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone?
cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone has a molecular weight of 252.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone is sourced from PubChem (CID 106652265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).