methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate

C16H26O4S — CID 114450574

IUPACmethyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C16H26O4S/c1-18-15(17)12-2-4-13(5-3-12)20-14-6-8-19-16(10-14)7-9-21-11-16/h12-14H,2-11H2,1H3
InChIKeyADQCCQVIDDKVRO-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.79
Rot. Bonds3

About methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate

methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate (PubChem CID 114450574) has the molecular formula C16H26O4S and a molecular weight of 314.45 g/mol. Its IUPAC name is methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate
PubChem CID114450574
Molecular FormulaC16H26O4S
Molecular Weight314.45 g/mol
Exact Mass314.16
IUPAC Namemethyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C16H26O4S/c1-18-15(17)12-2-4-13(5-3-12)20-14-6-8-19-16(10-14)7-9-21-11-16/h12-14H,2-11H2,1H3
InChIKeyADQCCQVIDDKVRO-UHFFFAOYSA-N
XLogP2.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine
CID 113395292
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]propan-2-one
CID 115495256
(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116560737
(2S)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)propanoic acid
CID 104875819
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
(1,1-dioxothiolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 113289668
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
CID 106744745

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate (CID 114450574) is methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate is COC(=O)C1CCC(OC2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate?
The InChIKey is ADQCCQVIDDKVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4S/c1-18-15(17)12-2-4-13(5-3-12)20-14-6-8-19-16(10-14)7-9-21-11-16/h12-14H,2-11H2,1H3.
What are the key properties of methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate?
methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate has a molecular weight of 314.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 114450574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).