(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C17H28O2S — CID 79920973

IUPAC(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCCC1CCCC(C(=O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C17H28O2S/c1-2-13-4-3-5-14(10-13)16(18)15-6-8-19-17(11-15)7-9-20-12-17/h13-15H,2-12H2,1H3
InChIKeyYTEBFCQLHPQSOU-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.07
Rot. Bonds3

About (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 79920973) has the molecular formula C17H28O2S and a molecular weight of 296.48 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID79920973
Molecular FormulaC17H28O2S
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCCC1CCCC(C(=O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C17H28O2S/c1-2-13-4-3-5-14(10-13)16(18)15-6-8-19-17(11-15)7-9-20-12-17/h13-15H,2-12H2,1H3
InChIKeyYTEBFCQLHPQSOU-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79921446
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
(1,1-dioxothiolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 113289668
(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116560737
6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587891
1,4-dithian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79971334

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 79920973) is (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is CCC1CCCC(C(=O)C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is YTEBFCQLHPQSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2S/c1-2-13-4-3-5-14(10-13)16(18)15-6-8-19-17(11-15)7-9-20-12-17/h13-15H,2-12H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 296.48 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 79920973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).