(3,3-dimethylcyclopentyl)methyl sulfite

C8H15O3S- — CID 123585539

IUPAC(3,3-dimethylcyclopentyl)methyl sulfite
SMILESCC1(C)CCC(COS(=O)[O-])C1
InChIInChI=1S/C8H16O3S/c1-8(2)4-3-7(5-8)6-11-12(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyUOOCCIPXOZTNMP-UHFFFAOYSA-M
MW191.27 g/mol
LogP1.62
Rot. Bonds3

About (3,3-dimethylcyclopentyl)methyl sulfite

(3,3-dimethylcyclopentyl)methyl sulfite (PubChem CID 123585539) has the molecular formula C8H15O3S- and a molecular weight of 191.27 g/mol. Its IUPAC name is (3,3-dimethylcyclopentyl)methyl sulfite.

Molecular Properties

Compound Name(3,3-dimethylcyclopentyl)methyl sulfite
PubChem CID123585539
Molecular FormulaC8H15O3S-
Molecular Weight191.27 g/mol
Exact Mass191.07
IUPAC Name(3,3-dimethylcyclopentyl)methyl sulfite
SMILESCC1(C)CCC(COS(=O)[O-])C1
InChIInChI=1S/C8H16O3S/c1-8(2)4-3-7(5-8)6-11-12(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyUOOCCIPXOZTNMP-UHFFFAOYSA-M
XLogP1.62
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,3-dimethylcyclopentyl)methyl sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-3,3-dimethylcyclopentyl]methanol
CID 159914707
2-(3,3-dimethylcyclopentyl)ethanol
CID 84648793
1,1-dimethyl-3-(methylperoxymethyl)cyclohexane
CID 163495492
N-[(3,3-dimethylcyclopentyl)methyl]ethanamine
CID 80705004
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867
tert-butyl-chloro-dimethylsilane;tert-butyl-[(3,3-dimethylcyclopentyl)methoxy]-dimethylsilane;(3,3-dimethylcyclopentyl)methanol
CID 159548386
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
4-[4-(3,3-dimethylcyclopentyl)butoxy]benzenesulfonamide
CID 158695134
N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride
CID 130596221
1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 127671510
(4,4-dimethylcyclohexyl)methanesulfonic acid
CID 131183489
(3,3-dimethylcyclohexyl)methanol
CID 14034040

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclopentyl)methyl sulfite?
The IUPAC name of (3,3-dimethylcyclopentyl)methyl sulfite (CID 123585539) is (3,3-dimethylcyclopentyl)methyl sulfite.
What is the SMILES notation for (3,3-dimethylcyclopentyl)methyl sulfite?
The canonical SMILES for (3,3-dimethylcyclopentyl)methyl sulfite is CC1(C)CCC(COS(=O)[O-])C1.
What is the InChIKey of (3,3-dimethylcyclopentyl)methyl sulfite?
The InChIKey is UOOCCIPXOZTNMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O3S/c1-8(2)4-3-7(5-8)6-11-12(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1.
What are the key properties of (3,3-dimethylcyclopentyl)methyl sulfite?
(3,3-dimethylcyclopentyl)methyl sulfite has a molecular weight of 191.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclopentyl)methyl sulfite is sourced from PubChem (CID 123585539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).