8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane

C8H15O2S+ — CID 140854973

IUPAC8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane
SMILESC[S+]1CCC2(CC1)OCCO2
InChIInChI=1S/C8H15O2S/c1-11-6-2-8(3-7-11)9-4-5-10-8/h2-7H2,1H3/q+1
InChIKeyRGJLAFCZMHAXKZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds

About 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane

8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane (PubChem CID 140854973) has the molecular formula C8H15O2S+ and a molecular weight of 175.27 g/mol. Its IUPAC name is 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane
PubChem CID140854973
Molecular FormulaC8H15O2S+
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC Name8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane
SMILESC[S+]1CCC2(CC1)OCCO2
InChIInChI=1S/C8H15O2S/c1-11-6-2-8(3-7-11)9-4-5-10-8/h2-7H2,1H3/q+1
InChIKeyRGJLAFCZMHAXKZ-UHFFFAOYSA-N
XLogP0.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
1,4-Dioxa-8lambda4-thiaspiro(4.5)decan-8-one
CID 13273782
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(pentylthio)ethyl)-
CID 59230
1,4-Dioxa-7-thiaspiro[4.5]decane
CID 642978
4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
1,4-Dioxa-7,9-dithiaspiro[4.5]decane
CID 21678320
4-Methyl-5-athyl-6.8-dioxa-3-thia-bicyclo-[3.2.1]-octan
CID 129628576
(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134895134
(6S)-6-methyl-1,4-dioxa-8-thiaspiro[4.5]decane
CID 135016905
5-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 536590
4a,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537487
1,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537873

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane?
The IUPAC name of 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane (CID 140854973) is 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane?
The canonical SMILES for 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane is C[S+]1CCC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane?
The InChIKey is RGJLAFCZMHAXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2S/c1-11-6-2-8(3-7-11)9-4-5-10-8/h2-7H2,1H3/q+1.
What are the key properties of 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane?
8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane has a molecular weight of 175.27 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxa-8-thioniaspiro[4.5]decane is sourced from PubChem (CID 140854973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).