2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride

C10H19ClO4S — CID 64999459

IUPAC2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride
SMILESCC(C)(COCC1CCCO1)CS(=O)(=O)Cl
InChIInChI=1S/C10H19ClO4S/c1-10(2,8-16(11,12)13)7-14-6-9-4-3-5-15-9/h9H,3-8H2,1-2H3
InChIKeyUCIYJWBHXBERKO-UHFFFAOYSA-N
MW270.78 g/mol
LogP1.78
Rot. Bonds6

About 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride

2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride (PubChem CID 64999459) has the molecular formula C10H19ClO4S and a molecular weight of 270.78 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride
PubChem CID64999459
Molecular FormulaC10H19ClO4S
Molecular Weight270.78 g/mol
Exact Mass270.07
IUPAC Name2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride
SMILESCC(C)(COCC1CCCO1)CS(=O)(=O)Cl
InChIInChI=1S/C10H19ClO4S/c1-10(2,8-16(11,12)13)7-14-6-9-4-3-5-15-9/h9H,3-8H2,1-2H3
InChIKeyUCIYJWBHXBERKO-UHFFFAOYSA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
CID 79620046
2-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 98112256
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435
2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805051
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
oxolan-2-ylmethyl hypochlorite
CID 22491519
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
CID 66336545
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride?
The IUPAC name of 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride (CID 64999459) is 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride?
The canonical SMILES for 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride is CC(C)(COCC1CCCO1)CS(=O)(=O)Cl.
What is the InChIKey of 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride?
The InChIKey is UCIYJWBHXBERKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO4S/c1-10(2,8-16(11,12)13)7-14-6-9-4-3-5-15-9/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride?
2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride has a molecular weight of 270.78 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 64999459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).