ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate

C15H24O4S — CID 79920520

IUPACethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H24O4S/c1-2-18-14(17)4-3-13(16)9-12-5-7-19-15(10-12)6-8-20-11-15/h12H,2-11H2,1H3
InChIKeyMKUFDBDDMREWOK-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.59
Rot. Bonds6

About ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate

ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate (PubChem CID 79920520) has the molecular formula C15H24O4S and a molecular weight of 300.42 g/mol. Its IUPAC name is ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate
PubChem CID79920520
Molecular FormulaC15H24O4S
Molecular Weight300.42 g/mol
Exact Mass300.14
IUPAC Nameethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CC1CCOC2(CCSC2)C1
InChIInChI=1S/C15H24O4S/c1-2-18-14(17)4-3-13(16)9-12-5-7-19-15(10-12)6-8-20-11-15/h12H,2-11H2,1H3
InChIKeyMKUFDBDDMREWOK-UHFFFAOYSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
CID 79923999
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79923979
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate (CID 79920520) is ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)CC1CCOC2(CCSC2)C1.
What is the InChIKey of ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate?
The InChIKey is MKUFDBDDMREWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4S/c1-2-18-14(17)4-3-13(16)9-12-5-7-19-15(10-12)6-8-20-11-15/h12H,2-11H2,1H3.
What are the key properties of ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate?
ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate has a molecular weight of 300.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate is sourced from PubChem (CID 79920520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).