(1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate

C24H28O2S — CID 88904868

IUPAC(1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate
SMILESCCC1(OC(=O)CSCc2cccc3cc4c(cc23)=CCCC=4)CCCC1
InChIInChI=1S/C24H28O2S/c1-2-24(12-5-6-13-24)26-23(25)17-27-16-21-11-7-10-20-14-18-8-3-4-9-19(18)15-22(20)21/h7-11,14-15H,2-6,12-13,16-17H2,1H3
InChIKeyKMIIUUPMDFVTHW-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.69
Rot. Bonds6

About (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate

(1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate (PubChem CID 88904868) has the molecular formula C24H28O2S and a molecular weight of 380.55 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate
PubChem CID88904868
Molecular FormulaC24H28O2S
Molecular Weight380.55 g/mol
Exact Mass380.18
IUPAC Name(1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate
SMILESCCC1(OC(=O)CSCc2cccc3cc4c(cc23)=CCCC=4)CCCC1
InChIInChI=1S/C24H28O2S/c1-2-24(12-5-6-13-24)26-23(25)17-27-16-21-11-7-10-20-14-18-8-3-4-9-19(18)15-22(20)21/h7-11,14-15H,2-6,12-13,16-17H2,1H3
InChIKeyKMIIUUPMDFVTHW-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate?
The IUPAC name of (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate (CID 88904868) is (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate?
The canonical SMILES for (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate is CCC1(OC(=O)CSCc2cccc3cc4c(cc23)=CCCC=4)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate?
The InChIKey is KMIIUUPMDFVTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2S/c1-2-24(12-5-6-13-24)26-23(25)17-27-16-21-11-7-10-20-14-18-8-3-4-9-19(18)15-22(20)21/h7-11,14-15H,2-6,12-13,16-17H2,1H3.
What are the key properties of (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate?
(1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate has a molecular weight of 380.55 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-(6,7-dihydroanthracen-1-ylmethylsulfanyl)acetate is sourced from PubChem (CID 88904868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).