1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid

C14H22O3S — CID 79900285

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C2CCOC3(CCSC3)C2)CCCC1
InChIInChI=1S/C14H22O3S/c15-12(16)14(4-1-2-5-14)11-3-7-17-13(9-11)6-8-18-10-13/h11H,1-10H2,(H,15,16)
InChIKeyKGWUQBKWQZSZNC-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.93
Rot. Bonds2

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid (PubChem CID 79900285) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid
PubChem CID79900285
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C2CCOC3(CCSC3)C2)CCCC1
InChIInChI=1S/C14H22O3S/c15-12(16)14(4-1-2-5-14)11-3-7-17-13(9-11)6-8-18-10-13/h11H,1-10H2,(H,15,16)
InChIKeyKGWUQBKWQZSZNC-UHFFFAOYSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid (CID 79900285) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(C2CCOC3(CCSC3)C2)CCCC1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid?
The InChIKey is KGWUQBKWQZSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c15-12(16)14(4-1-2-5-14)11-3-7-17-13(9-11)6-8-18-10-13/h11H,1-10H2,(H,15,16).
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid has a molecular weight of 270.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79900285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).