7-methyl-1-oxa-4-thiaspiro[4.5]decane

C9H16OS — CID 10965005

IUPAC7-methyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC1CCCC2(C1)OCCS2
InChIInChI=1S/C9H16OS/c1-8-3-2-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3
InChIKeyCBAKYSFZNKSYIE-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.66
Rot. Bonds

About 7-methyl-1-oxa-4-thiaspiro[4.5]decane

7-methyl-1-oxa-4-thiaspiro[4.5]decane (PubChem CID 10965005) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 7-methyl-1-oxa-4-thiaspiro[4.5]decane.

Molecular Properties

Compound Name7-methyl-1-oxa-4-thiaspiro[4.5]decane
PubChem CID10965005
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name7-methyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC1CCCC2(C1)OCCS2
InChIInChI=1S/C9H16OS/c1-8-3-2-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3
InChIKeyCBAKYSFZNKSYIE-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-oxa-4-thiaspiro[4.5]decane?
The IUPAC name of 7-methyl-1-oxa-4-thiaspiro[4.5]decane (CID 10965005) is 7-methyl-1-oxa-4-thiaspiro[4.5]decane.
What is the SMILES notation for 7-methyl-1-oxa-4-thiaspiro[4.5]decane?
The canonical SMILES for 7-methyl-1-oxa-4-thiaspiro[4.5]decane is CC1CCCC2(C1)OCCS2.
What is the InChIKey of 7-methyl-1-oxa-4-thiaspiro[4.5]decane?
The InChIKey is CBAKYSFZNKSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8-3-2-4-9(7-8)10-5-6-11-9/h8H,2-7H2,1H3.
What are the key properties of 7-methyl-1-oxa-4-thiaspiro[4.5]decane?
7-methyl-1-oxa-4-thiaspiro[4.5]decane has a molecular weight of 172.29 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-oxa-4-thiaspiro[4.5]decane is sourced from PubChem (CID 10965005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).