2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone

C19H26O2 — CID 116749839

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)CC2Cc3ccccc32)CCCC(C)C1
InChIInChI=1S/C19H26O2/c1-3-21-19(10-6-7-14(2)13-19)18(20)12-16-11-15-8-4-5-9-17(15)16/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3
InChIKeyBVKWFOIWVISUQK-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.27
Rot. Bonds5

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone (PubChem CID 116749839) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
PubChem CID116749839
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)CC2Cc3ccccc32)CCCC(C)C1
InChIInChI=1S/C19H26O2/c1-3-21-19(10-6-7-14(2)13-19)18(20)12-16-11-15-8-4-5-9-17(15)16/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3
InChIKeyBVKWFOIWVISUQK-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone with MolForge

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750459
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
CID 116749856
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749855
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
2-(2-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749891
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
CID 66417314
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747763
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
(1-ethoxy-3-methylcyclohexyl)-thiophen-2-ylmethanone
CID 116749917
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone (CID 116749839) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone is CCOC1(C(=O)CC2Cc3ccccc32)CCCC(C)C1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
The InChIKey is BVKWFOIWVISUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-21-19(10-6-7-14(2)13-19)18(20)12-16-11-15-8-4-5-9-17(15)16/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone has a molecular weight of 286.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).