2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate

C8H14O4S2 — CID 87240269

IUPAC2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate
SMILESCC(C(=O)OCCOCCO)=C(S)S
InChIInChI=1S/C8H14O4S2/c1-6(8(13)14)7(10)12-5-4-11-3-2-9/h9,13-14H,2-5H2,1H3
InChIKeyZFTRSSDQULXCMI-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.63
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate

2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate (PubChem CID 87240269) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate
PubChem CID87240269
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate
SMILESCC(C(=O)OCCOCCO)=C(S)S
InChIInChI=1S/C8H14O4S2/c1-6(8(13)14)7(10)12-5-4-11-3-2-9/h9,13-14H,2-5H2,1H3
InChIKeyZFTRSSDQULXCMI-UHFFFAOYSA-N
XLogP0.63
TPSA55.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate
CID 58362019
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
CID 88500447
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate (CID 87240269) is 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate is CC(C(=O)OCCOCCO)=C(S)S.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate?
The InChIKey is ZFTRSSDQULXCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2/c1-6(8(13)14)7(10)12-5-4-11-3-2-9/h9,13-14H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate?
2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate has a molecular weight of 238.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate is sourced from PubChem (CID 87240269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).