2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride

C10H21ClO4S — CID 65013161

IUPAC2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COC(C)COC)CS(=O)(=O)Cl
InChIInChI=1S/C10H21ClO4S/c1-4-5-10(8-16(11,12)13)7-15-9(2)6-14-3/h9-10H,4-8H2,1-3H3
InChIKeyXRCDABFCLVJFPO-UHFFFAOYSA-N
MW272.79 g/mol
LogP2.02
Rot. Bonds9

About 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride

2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride (PubChem CID 65013161) has the molecular formula C10H21ClO4S and a molecular weight of 272.79 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
PubChem CID65013161
Molecular FormulaC10H21ClO4S
Molecular Weight272.79 g/mol
Exact Mass272.08
IUPAC Name2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COC(C)COC)CS(=O)(=O)Cl
InChIInChI=1S/C10H21ClO4S/c1-4-5-10(8-16(11,12)13)7-15-9(2)6-14-3/h9-10H,4-8H2,1-3H3
InChIKeyXRCDABFCLVJFPO-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 103490993
2-(3-methylbutoxymethyl)pentane-1-sulfonyl chloride
CID 65012653
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
CID 103176077
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
CID 106206659
2-(phenoxymethyl)pentane-1-sulfonyl chloride
CID 65012905
2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65012648
[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004880
2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
CID 65012606
2-methoxypentane-1-sulfonyl chloride
CID 105453267
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
The IUPAC name of 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride (CID 65013161) is 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
The canonical SMILES for 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride is CCCC(COC(C)COC)CS(=O)(=O)Cl.
What is the InChIKey of 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
The InChIKey is XRCDABFCLVJFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO4S/c1-4-5-10(8-16(11,12)13)7-15-9(2)6-14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride?
2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride has a molecular weight of 272.79 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride is sourced from PubChem (CID 65013161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).