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

C9H16OS — CID 12954650

IUPAC8-methyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC1CCC2(CC1)OCCS2
InChIInChI=1S/C9H16OS/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3
InChIKeyNKZMSOSAZUJBIX-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.66
Rot. Bonds

About 8-methyl-1-oxa-4-thiaspiro[4.5]decane

8-methyl-1-oxa-4-thiaspiro[4.5]decane (PubChem CID 12954650) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 8-methyl-1-oxa-4-thiaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-1-oxa-4-thiaspiro[4.5]decane
PubChem CID12954650
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name8-methyl-1-oxa-4-thiaspiro[4.5]decane
SMILESCC1CCC2(CC1)OCCS2
InChIInChI=1S/C9H16OS/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3
InChIKeyNKZMSOSAZUJBIX-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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Related Compounds

2-Heptan-3-yl-1,3-oxathiolane
CID 306084
7-Methyl-1-oxa-4-thiaspiro[4.5]decane
CID 10965005
2-[4-(1-Ethylcyclohexyl)sulfanylbutyl]oxolane
CID 23326631
2-[3-(Cyclohexylmethylsulfanyl)butyl]oxolane
CID 70541596
Cyclohexylmethyl-methyl-[3-(oxolan-2-yl)propyl]sulfanium
CID 88744966
9-Methyl-1-oxa-5-thiaspiro[5.5]undecane
CID 126641742
Dimethyl-[2-(6-methyloxan-3-yl)ethyl]-propan-2-yl-lambda4-sulfane
CID 134449837
1-Methoxy-4-(methylsulfanylmethyl)cyclohexane
CID 140464125
1-(Ethylsulfanylmethyl)-4-methoxycyclohexane
CID 140464126
1-(Propan-2-yloxymethyl)-2-propan-2-ylsulfanylcyclohexane
CID 140772106
1-(Propan-2-yloxymethyl)-4-propan-2-ylsulfanylcyclohexane
CID 140772112
1-Methoxy-4-(propan-2-ylsulfanylmethyl)cyclohexane
CID 145832926

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-oxa-4-thiaspiro[4.5]decane?
The IUPAC name of 8-methyl-1-oxa-4-thiaspiro[4.5]decane (CID 12954650) is 8-methyl-1-oxa-4-thiaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-1-oxa-4-thiaspiro[4.5]decane?
The canonical SMILES for 8-methyl-1-oxa-4-thiaspiro[4.5]decane is CC1CCC2(CC1)OCCS2.
What is the InChIKey of 8-methyl-1-oxa-4-thiaspiro[4.5]decane?
The InChIKey is NKZMSOSAZUJBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3.
What are the key properties of 8-methyl-1-oxa-4-thiaspiro[4.5]decane?
8-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 8-methyl-1-oxa-4-thiaspiro[4.5]decane is sourced from PubChem (CID 12954650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).