2-methylprop-1-enyl propane-1-sulfinate;propane

C10H22O2S — CID 54332842

IUPAC2-methylprop-1-enyl propane-1-sulfinate;propane
SMILESCCC.CCCS(=O)OC=C(C)C
InChIInChI=1S/C7H14O2S.C3H8/c1-4-5-10(8)9-6-7(2)3;1-3-2/h6H,4-5H2,1-3H3;3H2,1-2H3
InChIKeySZNVWZWIBZDUTK-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.42
Rot. Bonds4

About 2-methylprop-1-enyl propane-1-sulfinate;propane

2-methylprop-1-enyl propane-1-sulfinate;propane (PubChem CID 54332842) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-methylprop-1-enyl propane-1-sulfinate;propane.

Molecular Properties

Compound Name2-methylprop-1-enyl propane-1-sulfinate;propane
PubChem CID54332842
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2-methylprop-1-enyl propane-1-sulfinate;propane
SMILESCCC.CCCS(=O)OC=C(C)C
InChIInChI=1S/C7H14O2S.C3H8/c1-4-5-10(8)9-6-7(2)3;1-3-2/h6H,4-5H2,1-3H3;3H2,1-2H3
InChIKeySZNVWZWIBZDUTK-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-methylprop-2-ene-1-sulfinate
CID 11286560
Propyl 3-methylbut-2-ene-1-sulfinate
CID 14934780
Propyl 2-methylprop-2-ene-1-sulfonate
CID 19063512
Ethyl 2-methylprop-2-ene-1-sulfonate
CID 21539884
2-Methylprop-1-enyl ethenesulfonate
CID 87857390
2-Methylprop-1-enyl ethanesulfonate
CID 88813306
4-methyl-3H-oxathiole 2,2-dioxide
CID 89251309
Butyl 2-methylprop-2-ene-1-sulfonate
CID 155661746
2-Methylprop-2-enyl propa-1,2-diene-1-sulfinate
CID 12077563
2-Methylprop-1-enyl propane-1-sulfinate
CID 53878019
2,2-Dimethylpropyl 2-methylprop-2-ene-1-sulfonate
CID 102033535

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enyl propane-1-sulfinate;propane?
The IUPAC name of 2-methylprop-1-enyl propane-1-sulfinate;propane (CID 54332842) is 2-methylprop-1-enyl propane-1-sulfinate;propane.
What is the SMILES notation for 2-methylprop-1-enyl propane-1-sulfinate;propane?
The canonical SMILES for 2-methylprop-1-enyl propane-1-sulfinate;propane is CCC.CCCS(=O)OC=C(C)C.
What is the InChIKey of 2-methylprop-1-enyl propane-1-sulfinate;propane?
The InChIKey is SZNVWZWIBZDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S.C3H8/c1-4-5-10(8)9-6-7(2)3;1-3-2/h6H,4-5H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-methylprop-1-enyl propane-1-sulfinate;propane?
2-methylprop-1-enyl propane-1-sulfinate;propane has a molecular weight of 206.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enyl propane-1-sulfinate;propane is sourced from PubChem (CID 54332842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).