2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride

C12H25ClO5S — CID 103176077

IUPAC2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
SMILESCCCC(COCCOCCCOC)CS(=O)(=O)Cl
InChIInChI=1S/C12H25ClO5S/c1-3-5-12(11-19(13,14)15)10-18-9-8-17-7-4-6-16-2/h12H,3-11H2,1-2H3
InChIKeyNATWQVOKVTZQQD-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.04
Rot. Bonds13

About 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride

2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride (PubChem CID 103176077) has the molecular formula C12H25ClO5S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
PubChem CID103176077
Molecular FormulaC12H25ClO5S
Molecular Weight316.85 g/mol
Exact Mass316.11
IUPAC Name2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
SMILESCCCC(COCCOCCCOC)CS(=O)(=O)Cl
InChIInChI=1S/C12H25ClO5S/c1-3-5-12(11-19(13,14)15)10-18-9-8-17-7-4-6-16-2/h12H,3-11H2,1-2H3
InChIKeyNATWQVOKVTZQQD-UHFFFAOYSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
2-(3-methylbutoxymethyl)pentane-1-sulfonyl chloride
CID 65012653
2-(2-cyclopropylethoxymethyl)pentane-1-sulfonyl chloride
CID 106206659
2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 65013161
1-bromo-2-(3-methoxypropoxymethyl)pentane
CID 65010988
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
2-(1-ethoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 103490993
1-bromo-2-(2-methoxyethoxymethyl)pentane
CID 65011102
4-(butoxymethyl)nonane
CID 87066766
2-(oxan-4-yloxymethyl)pentane-1-sulfonyl chloride
CID 65012606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride (CID 103176077) is 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride is CCCC(COCCOCCCOC)CS(=O)(=O)Cl.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride?
The InChIKey is NATWQVOKVTZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO5S/c1-3-5-12(11-19(13,14)15)10-18-9-8-17-7-4-6-16-2/h12H,3-11H2,1-2H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride?
2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride has a molecular weight of 316.85 g/mol, XLogP of 2.04, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride is sourced from PubChem (CID 103176077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).