8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane

C11H20OS — CID 11171650

IUPAC8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC(C)C1CCC2(CC1)OCCS2
InChIInChI=1S/C11H20OS/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-11/h9-10H,3-8H2,1-2H3
InChIKeyLGICRCJAHUYALF-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.29
Rot. Bonds1

About 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane

8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane (PubChem CID 11171650) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane
PubChem CID11171650
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC(C)C1CCC2(CC1)OCCS2
InChIInChI=1S/C11H20OS/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-11/h9-10H,3-8H2,1-2H3
InChIKeyLGICRCJAHUYALF-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-1-oxa-4-thiaspiro[4.5]decane
CID 10965005
2-(5-Methyl-2-propan-2-ylcyclohexyl)oxythiolane
CID 22447601
7-Ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
CID 59278935
2-(3-Methyl-8-methylsulfanyloctan-4-yl)oxolane
CID 70456183
2-(1-Cyclohexyl-4-ethylsulfanylbutyl)oxolane
CID 70456790
2-[3-(Cyclohexylmethylsulfanyl)butyl]oxolane
CID 70541596
8,8-Dimethyl-1-oxa-4-thiaspiro[4.5]decane
CID 150171275
Ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten
CID 162218828
2-(4-Methylcyclohexyl)oxythiolane
CID 9990393
1-Oxa-4-thiaspiro[4.5]decane, 9-methyl-6-(1-methylethyl)-
CID 10867654
2-(4,8-Dimethylnonyl)-2-methyl-1,3-oxathiolane
CID 11043458
1,3-Oxathiolane, 2-cyclohexyl-2-methyl-
CID 11469504

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane?
The IUPAC name of 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane (CID 11171650) is 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane is CC(C)C1CCC2(CC1)OCCS2.
What is the InChIKey of 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane?
The InChIKey is LGICRCJAHUYALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane?
8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane has a molecular weight of 200.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1-oxa-4-thiaspiro[4.5]decane is sourced from PubChem (CID 11171650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).