(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

C16H18Cl2O2S — CID 115788319

IUPAC(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H18Cl2O2S/c17-12-2-1-3-13(18)14(12)15(19)11-4-7-20-16(10-11)5-8-21-9-6-16/h1-3,11H,4-10H2
InChIKeyRGUQMIKILYJRPM-UHFFFAOYSA-N
MW345.29 g/mol
LogP4.87
Rot. Bonds2

About (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (PubChem CID 115788319) has the molecular formula C16H18Cl2O2S and a molecular weight of 345.29 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
PubChem CID115788319
Molecular FormulaC16H18Cl2O2S
Molecular Weight345.29 g/mol
Exact Mass344.04
IUPAC Name(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H18Cl2O2S/c17-12-2-1-3-13(18)14(12)15(19)11-4-7-20-16(10-11)5-8-21-9-6-16/h1-3,11H,4-10H2
InChIKeyRGUQMIKILYJRPM-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
(3,4-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 81494502
(2-chloro-6-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784651
(4-amino-3-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116581898
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-2-yl)methanone
CID 79912888
(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79912433
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
(3-chloro-5-methylphenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788360
(3-iodophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 115788182
(2,6-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909705
(4-chloro-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921860
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (CID 115788319) is (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is O=C(c1c(Cl)cccc1Cl)C1CCOC2(CCSCC2)C1.
What is the InChIKey of (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is RGUQMIKILYJRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2O2S/c17-12-2-1-3-13(18)14(12)15(19)11-4-7-20-16(10-11)5-8-21-9-6-16/h1-3,11H,4-10H2.
What are the key properties of (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 345.29 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 115788319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).