cycloocten-1-yl-(1-ethoxycycloheptyl)methanone

C18H30O2 — CID 106652283

IUPACcycloocten-1-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCCC2)CCCCCC1
InChIInChI=1S/C18H30O2/c1-2-20-18(14-10-6-7-11-15-18)17(19)16-12-8-4-3-5-9-13-16/h12H,2-11,13-15H2,1H3
InChIKeyLTCOILBINVSSNI-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.97
Rot. Bonds4

About cycloocten-1-yl-(1-ethoxycycloheptyl)methanone

cycloocten-1-yl-(1-ethoxycycloheptyl)methanone (PubChem CID 106652283) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is cycloocten-1-yl-(1-ethoxycycloheptyl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl-(1-ethoxycycloheptyl)methanone
PubChem CID106652283
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Namecycloocten-1-yl-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)C2=CCCCCCC2)CCCCCC1
InChIInChI=1S/C18H30O2/c1-2-20-18(14-10-6-7-11-15-18)17(19)16-12-8-4-3-5-9-13-16/h12H,2-11,13-15H2,1H3
InChIKeyLTCOILBINVSSNI-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
2-(7-t-Butoxy-heptyl)-5-methoxy-cyclopent-2-enone
CID 545472
3-(4,6-Dimethylcyclohept-3-en-1-yl)-2-methyl-1-(oxolan-2-yl)prop-2-en-1-one
CID 123755519
Cyclohepta-1,4,6-trien-1-yl-(1-undec-10-enoxycyclohexyl)methanone;ethane
CID 143190708
5-Butoxy-3-(2-cycloheptylcyclopropyl)-5-methylcyclopent-2-en-1-one
CID 143468550
2-(4,8-Dimethyl-5-oxonon-7-enyl)-2-methyloxepan-3-one
CID 161958230
2,5-Diethyl-5-pentoxycyclohex-2-ene-1,4-dione
CID 174842943
2,5-Didecyl-5-pentoxycyclohex-2-ene-1,4-dione
CID 174842946
Cyclopenten-1-yl-(2-methyloxolan-2-yl)methanone
CID 80181350
Cyclohepten-1-yl-(2-methyloxolan-2-yl)methanone
CID 80181351

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(1-ethoxycycloheptyl)methanone?
The IUPAC name of cycloocten-1-yl-(1-ethoxycycloheptyl)methanone (CID 106652283) is cycloocten-1-yl-(1-ethoxycycloheptyl)methanone.
What is the SMILES notation for cycloocten-1-yl-(1-ethoxycycloheptyl)methanone?
The canonical SMILES for cycloocten-1-yl-(1-ethoxycycloheptyl)methanone is CCOC1(C(=O)C2=CCCCCCC2)CCCCCC1.
What is the InChIKey of cycloocten-1-yl-(1-ethoxycycloheptyl)methanone?
The InChIKey is LTCOILBINVSSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-20-18(14-10-6-7-11-15-18)17(19)16-12-8-4-3-5-9-13-16/h12H,2-11,13-15H2,1H3.
What are the key properties of cycloocten-1-yl-(1-ethoxycycloheptyl)methanone?
cycloocten-1-yl-(1-ethoxycycloheptyl)methanone has a molecular weight of 278.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(1-ethoxycycloheptyl)methanone is sourced from PubChem (CID 106652283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).