7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane

C10H18O2S — CID 59332732

IUPAC7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESCC(C)C1CC2(CCS1)OCCO2
InChIInChI=1S/C10H18O2S/c1-8(2)9-7-10(3-6-13-9)11-4-5-12-10/h8-9H,3-7H2,1-2H3
InChIKeyINHRTKJSSPXTHF-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.28
Rot. Bonds1

About 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane

7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane (PubChem CID 59332732) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane.

Molecular Properties

Compound Name7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane
PubChem CID59332732
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane
SMILESCC(C)C1CC2(CCS1)OCCO2
InChIInChI=1S/C10H18O2S/c1-8(2)9-7-10(3-6-13-9)11-4-5-12-10/h8-9H,3-7H2,1-2H3
InChIKeyINHRTKJSSPXTHF-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane?
The IUPAC name of 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane (CID 59332732) is 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane.
What is the SMILES notation for 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane?
The canonical SMILES for 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane is CC(C)C1CC2(CCS1)OCCO2.
What is the InChIKey of 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane?
The InChIKey is INHRTKJSSPXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-8(2)9-7-10(3-6-13-9)11-4-5-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane?
7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane has a molecular weight of 202.32 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,4-dioxa-8-thiaspiro[4.5]decane is sourced from PubChem (CID 59332732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).