1,10-dioxa-6-thiaspiro[3.7]undecane

C8H14O2S — CID 118210217

IUPAC1,10-dioxa-6-thiaspiro[3.7]undecane
SMILESC1COCC2(CCO2)CSC1
InChIInChI=1S/C8H14O2S/c1-3-9-6-8(2-4-10-8)7-11-5-1/h1-7H2
InChIKeyVHJBJPNKFGZQHJ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.30
Rot. Bonds

About 1,10-dioxa-6-thiaspiro[3.7]undecane

1,10-dioxa-6-thiaspiro[3.7]undecane (PubChem CID 118210217) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 1,10-dioxa-6-thiaspiro[3.7]undecane.

Molecular Properties

Compound Name1,10-dioxa-6-thiaspiro[3.7]undecane
PubChem CID118210217
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name1,10-dioxa-6-thiaspiro[3.7]undecane
SMILESC1COCC2(CCO2)CSC1
InChIInChI=1S/C8H14O2S/c1-3-9-6-8(2-4-10-8)7-11-5-1/h1-7H2
InChIKeyVHJBJPNKFGZQHJ-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dioxa-10-thiaspiro[3.7]undecane
CID 118210333
2,5-dioxa-8-thiaspiro[3.7]undecane
CID 118210763
5,8-dioxa-2-thiaspiro[3.7]undecane
CID 118210825
7,11-dioxaspiro[5.6]dodecane
CID 122692865
1,8-dioxaspiro[2.6]nonane
CID 88652146
2-oxa-6-thiaspiro[3.6]decane
CID 118210443
2-oxa-6-thiaspiro[3.4]octane
CID 118210159
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxolane-3-carboxylic acid
CID 79902944
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216

Frequently Asked Questions

What is the IUPAC name of 1,10-dioxa-6-thiaspiro[3.7]undecane?
The IUPAC name of 1,10-dioxa-6-thiaspiro[3.7]undecane (CID 118210217) is 1,10-dioxa-6-thiaspiro[3.7]undecane.
What is the SMILES notation for 1,10-dioxa-6-thiaspiro[3.7]undecane?
The canonical SMILES for 1,10-dioxa-6-thiaspiro[3.7]undecane is C1COCC2(CCO2)CSC1.
What is the InChIKey of 1,10-dioxa-6-thiaspiro[3.7]undecane?
The InChIKey is VHJBJPNKFGZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-9-6-8(2-4-10-8)7-11-5-1/h1-7H2.
What are the key properties of 1,10-dioxa-6-thiaspiro[3.7]undecane?
1,10-dioxa-6-thiaspiro[3.7]undecane has a molecular weight of 174.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxa-6-thiaspiro[3.7]undecane is sourced from PubChem (CID 118210217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).