[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride

C11H21ClO5S — CID 65004880

IUPAC[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCOCC(C)OCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C11H21ClO5S/c1-10(7-15-2)17-8-11(9-18(12,13)14)3-5-16-6-4-11/h10H,3-9H2,1-2H3
InChIKeyYXVZQTSTCFKONR-UHFFFAOYSA-N
MW300.80 g/mol
LogP1.40
Rot. Bonds7

About [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride

[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride (PubChem CID 65004880) has the molecular formula C11H21ClO5S and a molecular weight of 300.80 g/mol. Its IUPAC name is [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
PubChem CID65004880
Molecular FormulaC11H21ClO5S
Molecular Weight300.80 g/mol
Exact Mass300.08
IUPAC Name[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCOCC(C)OCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C11H21ClO5S/c1-10(7-15-2)17-8-11(9-18(12,13)14)3-5-16-6-4-11/h10H,3-9H2,1-2H3
InChIKeyYXVZQTSTCFKONR-UHFFFAOYSA-N
XLogP1.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(octan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004369
[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004170
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004420
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003183
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721
[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988
[4-[(2,6-dimethylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004262
2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 65013161
[4-[2-(2-methylpropoxy)ethoxymethyl]oxan-4-yl]methanesulfonamide
CID 106450636
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004168

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride (CID 65004880) is [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride is COCC(C)OCC1(CS(=O)(=O)Cl)CCOCC1.
What is the InChIKey of [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
The InChIKey is YXVZQTSTCFKONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO5S/c1-10(7-15-2)17-8-11(9-18(12,13)14)3-5-16-6-4-11/h10H,3-9H2,1-2H3.
What are the key properties of [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride has a molecular weight of 300.80 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 65004880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).