2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate

C18H38O10S2 — CID 159515193

IUPAC2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate
SMILESC=CCOCCO.C=CCOCCOS(C)(=O)=O.CCCCOCCOS(C)(=O)=O
InChIInChI=1S/C7H16O4S.C6H12O4S.C5H10O2/c1-3-4-5-10-6-7-11-12(2,8)9;1-3-4-9-5-6-10-11(2,7)8;1-2-4-7-5-3-6/h3-7H2,1-2H3;3H,1,4-6H2,2H3;2,6H,1,3-5H2
InChIKeyMBCIGLALTBEAJC-UHFFFAOYSA-N
MW478.63 g/mol
LogP1.13
Rot. Bonds17

About 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate

2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate (PubChem CID 159515193) has the molecular formula C18H38O10S2 and a molecular weight of 478.63 g/mol. Its IUPAC name is 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate.

Molecular Properties

Compound Name2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate
PubChem CID159515193
Molecular FormulaC18H38O10S2
Molecular Weight478.63 g/mol
Exact Mass478.19
IUPAC Name2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate
SMILESC=CCOCCO.C=CCOCCOS(C)(=O)=O.CCCCOCCOS(C)(=O)=O
InChIInChI=1S/C7H16O4S.C6H12O4S.C5H10O2/c1-3-4-5-10-6-7-11-12(2,8)9;1-3-4-9-5-6-10-11(2,7)8;1-2-4-7-5-3-6/h3-7H2,1-2H3;3H,1,4-6H2,2H3;2,6H,1,3-5H2
InChIKeyMBCIGLALTBEAJC-UHFFFAOYSA-N
XLogP1.13
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
6-butoxyhexan-1-ol;6-butoxyhexyl methanesulfonate
CID 118575706
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol
CID 8133
2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
CID 154161522
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate?
The IUPAC name of 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate (CID 159515193) is 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate.
What is the SMILES notation for 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate?
The canonical SMILES for 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate is C=CCOCCO.C=CCOCCOS(C)(=O)=O.CCCCOCCOS(C)(=O)=O.
What is the InChIKey of 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate?
The InChIKey is MBCIGLALTBEAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S.C6H12O4S.C5H10O2/c1-3-4-5-10-6-7-11-12(2,8)9;1-3-4-9-5-6-10-11(2,7)8;1-2-4-7-5-3-6/h3-7H2,1-2H3;3H,1,4-6H2,2H3;2,6H,1,3-5H2.
What are the key properties of 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate?
2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate has a molecular weight of 478.63 g/mol, XLogP of 1.13, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate is sourced from PubChem (CID 159515193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).