1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid

C10H18O2S — CID 14705512

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid
SMILESCC1(C)C2CCC1(C)C(S(=O)O)C2
InChIInChI=1S/C10H18O2S/c1-9(2)7-4-5-10(9,3)8(6-7)13(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyMDZZELJFEAMOAP-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.42
Rot. Bonds1

About 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid

1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid (PubChem CID 14705512) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid
PubChem CID14705512
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid
SMILESCC1(C)C2CCC1(C)C(S(=O)O)C2
InChIInChI=1S/C10H18O2S/c1-9(2)7-4-5-10(9,3)8(6-7)13(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyMDZZELJFEAMOAP-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl chloride
CID 86307397
(E)-1-phenyl-3-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfinyl]prop-2-en-1-one
CID 101114404
(E)-1-phenyl-3-[(S)-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfinyl]prop-2-en-1-one
CID 10892457
(E,2R)-2-phenyl-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfinyl]but-3-en-2-ol
CID 101114412
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid (CID 14705512) is 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid is CC1(C)C2CCC1(C)C(S(=O)O)C2.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid?
The InChIKey is MDZZELJFEAMOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(2)7-4-5-10(9,3)8(6-7)13(11)12/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid?
1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid has a molecular weight of 202.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylbicyclo[2.2.1]heptane-2-sulfinic acid is sourced from PubChem (CID 14705512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).