8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane

C12H20O2S — CID 68682881

IUPAC8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(SCC3CC3)CC2)O1
InChIInChI=1S/C12H20O2S/c1-2-10(1)9-15-11-3-5-12(6-4-11)13-7-8-14-12/h10-11H,1-9H2
InChIKeyQZZVPCCMCDMBER-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.82
Rot. Bonds3

About 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane

8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 68682881) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane
PubChem CID68682881
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane
SMILESC1COC2(CCC(SCC3CC3)CC2)O1
InChIInChI=1S/C12H20O2S/c1-2-10(1)9-15-11-3-5-12(6-4-11)13-7-8-14-12/h10-11H,1-9H2
InChIKeyQZZVPCCMCDMBER-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane (CID 68682881) is 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane is C1COC2(CCC(SCC3CC3)CC2)O1.
What is the InChIKey of 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is QZZVPCCMCDMBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-2-10(1)9-15-11-3-5-12(6-4-11)13-7-8-14-12/h10-11H,1-9H2.
What are the key properties of 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane?
8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 228.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethylsulfanyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 68682881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).