1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide

C7H12O3S — CID 13273782

IUPAC1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide
SMILESO=S1CCC2(CC1)OCCO2
InChIInChI=1S/C7H12O3S/c8-11-5-1-7(2-6-11)9-3-4-10-7/h1-6H2
InChIKeyNMEVGMCVYMNMOM-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.27
Rot. Bonds

About 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide

1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide (PubChem CID 13273782) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide.

Molecular Properties

Compound Name1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide
PubChem CID13273782
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide
SMILESO=S1CCC2(CC1)OCCO2
InChIInChI=1S/C7H12O3S/c8-11-5-1-7(2-6-11)9-3-4-10-7/h1-6H2
InChIKeyNMEVGMCVYMNMOM-UHFFFAOYSA-N
XLogP0.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
8-Imino-1,4-dioxa-8lambda6-thiaspiro[4.5]decan-8-one hydrochloride
CID 138006717
(1R,5R)-4,5-dimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
CID 134892427
1,4-Dioxa-7-thiaspiro[4.5]decane
CID 642978
8-Imino-1,4-dioxa-8lambda6-thiaspiro[4.5]decan-8-one
CID 138006718
1,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 537883
5-Methyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538710
4beta,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538769
1,4-Dioxa-8-thiaspiro[4.5]decane-7-thiol
CID 12336001
1,4-Dioxa-8-thiaspiro[4.5]decane-7-thiolate;gold(1+)
CID 59102050
(4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane
CID 69293358
8-Methyl-1,4-dioxa-8-thioniaspiro[4.5]decane
CID 140854973

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide?
The IUPAC name of 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide (CID 13273782) is 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide.
What is the SMILES notation for 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide?
The canonical SMILES for 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide is O=S1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide?
The InChIKey is NMEVGMCVYMNMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c8-11-5-1-7(2-6-11)9-3-4-10-7/h1-6H2.
What are the key properties of 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide?
1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide has a molecular weight of 176.24 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide is sourced from PubChem (CID 13273782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).