cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone

C15H24O2 — CID 106652254

IUPACcyclohepten-1-yl-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-2-17-15(11-7-8-12-15)14(16)13-9-5-3-4-6-10-13/h9H,2-8,10-12H2,1H3
InChIKeyUKWZYNJCQAPQLL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.80
Rot. Bonds4

About cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone

cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone (PubChem CID 106652254) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-ethoxycyclopentyl)methanone
PubChem CID106652254
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecyclohepten-1-yl-(1-ethoxycyclopentyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-2-17-15(11-7-8-12-15)14(16)13-9-5-3-4-6-10-13/h9H,2-8,10-12H2,1H3
InChIKeyUKWZYNJCQAPQLL-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-5-en-2-one
CID 171346100
2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
CID 56590259
2-Dodecyl-5-(2-methoxyethyl)-2-methyluran-3-one
CID 162938508
1-(4,4-Dimethylcyclopent-1-en-1-yl)-2-ethoxyprop-2-en-1-one
CID 71377796
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-6-yl)ethanone
CID 139262195
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-5-yl)ethanone
CID 139262218
2-Hex-5-enyl-2,5-dimethylfuran-3-one
CID 145994768
2-(7-t-Butoxy-heptyl)-5-methoxy-cyclopent-2-enone
CID 545472
Ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
5-Oxabicyclo[10.2.1]pentadec-1(14)-en-7-one
CID 56634416
3-(4,6-Dimethylcyclohept-3-en-1-yl)-2-methyl-1-(oxolan-2-yl)prop-2-en-1-one
CID 123755519

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone?
The IUPAC name of cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone (CID 106652254) is cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone is CCOC1(C(=O)C2=CCCCCC2)CCCC1.
What is the InChIKey of cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone?
The InChIKey is UKWZYNJCQAPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-17-15(11-7-8-12-15)14(16)13-9-5-3-4-6-10-13/h9H,2-8,10-12H2,1H3.
What are the key properties of cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone?
cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone has a molecular weight of 236.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-ethoxycyclopentyl)methanone is sourced from PubChem (CID 106652254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).