CID 90772571

C10H15O4S — CID 90772571

IUPAC—
SMILESCC1(C)C2CCC1(COS([O])=O)C(=O)C2
InChIInChI=1S/C10H15O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-14-15(12)13/h7H,3-6H2,1-2H3
InChIKeyHDXPEEPDYAVNGG-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.41
Rot. Bonds3

About CID 90772571

CID 90772571 (PubChem CID 90772571) has the molecular formula C10H15O4S and a molecular weight of 231.29 g/mol.

Molecular Properties

Compound NameCID 90772571
PubChem CID90772571
Molecular FormulaC10H15O4S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name—
SMILESCC1(C)C2CCC1(COS([O])=O)C(=O)C2
InChIInChI=1S/C10H15O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-14-15(12)13/h7H,3-6H2,1-2H3
InChIKeyHDXPEEPDYAVNGG-UHFFFAOYSA-N
XLogP1.41
TPSA63.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Hydroxymethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 572679
(7,7-Dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methyl trifluoromethanesulfonate
CID 72806185
Acetic acid 7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-ylmethyl ester
CID 539803
(1R,4R)-1-hydroxymethyl-7,7-dimethyl-bicyclo[2.2.1]heptan-2-one
CID 11171204
(1R,4R)-7,7-dimethyl-1-[(2R)-oxiran-2-yl]bicyclo[2.2.1]heptan-2-one
CID 139041416
[(1R,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methyl trifluoromethanesulfonate
CID 11335572
7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 5175257
[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methyl hydrogen sulfate
CID 20638240
7,7-Dimethyl-1-(sulfanyloxyperoxymethyl)bicyclo[2.2.1]heptan-2-one
CID 20754254
1-(Ethoxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 21523234
1-(Methoxymethyl)bicyclo[2.2.1]heptan-2-one
CID 21675046
(7,7-Dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methyl hydrogen sulfate
CID 21983260

Frequently Asked Questions

What is the IUPAC name of CID 90772571?
The IUPAC name of CID 90772571 (CID 90772571) is not available.
What is the SMILES notation for CID 90772571?
The canonical SMILES for CID 90772571 is CC1(C)C2CCC1(COS([O])=O)C(=O)C2.
What is the InChIKey of CID 90772571?
The InChIKey is HDXPEEPDYAVNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-14-15(12)13/h7H,3-6H2,1-2H3.
What are the key properties of CID 90772571?
CID 90772571 has a molecular weight of 231.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90772571 is sourced from PubChem (CID 90772571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).