6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane

C18H32OS — CID 161491429

IUPAC6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane
SMILESCC(C)C1CC2(COC2)C1.CC(C)C1CC2(CSC2)C1
InChIInChI=1S/C9H16O.C9H16S/c2*1-7(2)8-3-9(4-8)5-10-6-9/h2*7-8H,3-6H2,1-2H3
InChIKeyWFQSERJBVAIROB-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.85
Rot. Bonds2

About 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane

6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane (PubChem CID 161491429) has the molecular formula C18H32OS and a molecular weight of 296.52 g/mol. Its IUPAC name is 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane.

Molecular Properties

Compound Name6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane
PubChem CID161491429
Molecular FormulaC18H32OS
Molecular Weight296.52 g/mol
Exact Mass296.22
IUPAC Name6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane
SMILESCC(C)C1CC2(COC2)C1.CC(C)C1CC2(CSC2)C1
InChIInChI=1S/C9H16O.C9H16S/c2*1-7(2)8-3-9(4-8)5-10-6-9/h2*7-8H,3-6H2,1-2H3
InChIKeyWFQSERJBVAIROB-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane?
The IUPAC name of 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane (CID 161491429) is 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane.
What is the SMILES notation for 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane?
The canonical SMILES for 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane is CC(C)C1CC2(COC2)C1.CC(C)C1CC2(CSC2)C1.
What is the InChIKey of 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane?
The InChIKey is WFQSERJBVAIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C9H16S/c2*1-7(2)8-3-9(4-8)5-10-6-9/h2*7-8H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane?
6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane has a molecular weight of 296.52 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-oxaspiro[3.3]heptane;6-propan-2-yl-2-thiaspiro[3.3]heptane is sourced from PubChem (CID 161491429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).