2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate

C18H35ClO5S — CID 87769608

IUPAC2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate
SMILESO=C(Cl)OCCOCCOCCOCCCCCCCCCCCS
InChIInChI=1S/C18H35ClO5S/c19-18(20)24-16-15-23-14-13-22-12-11-21-10-8-6-4-2-1-3-5-7-9-17-25/h25H,1-17H2
InChIKeyCUBFHXWTXDAOSF-UHFFFAOYSA-N
MW398.99 g/mol
LogP4.85
Rot. Bonds20

About 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate

2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate (PubChem CID 87769608) has the molecular formula C18H35ClO5S and a molecular weight of 398.99 g/mol. Its IUPAC name is 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate.

Molecular Properties

Compound Name2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate
PubChem CID87769608
Molecular FormulaC18H35ClO5S
Molecular Weight398.99 g/mol
Exact Mass398.19
IUPAC Name2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate
SMILESO=C(Cl)OCCOCCOCCOCCCCCCCCCCCS
InChIInChI=1S/C18H35ClO5S/c19-18(20)24-16-15-23-14-13-22-12-11-21-10-8-6-4-2-1-3-5-7-9-17-25/h25H,1-17H2
InChIKeyCUBFHXWTXDAOSF-UHFFFAOYSA-N
XLogP4.85
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.99
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 154729983
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101236867
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
1-(2-chlorosulfonyloxyethoxy)-11-sulfanylundecane
CID 59422648
2-(3-sulfanylpropoxy)ethyl acetate
CID 171581130
4-chloro-1-[2-(11-sulfanylundecoxy)ethoxy]butan-2-one
CID 59422686
2-[2-[2-[2-(12-sulfanyldodecoxy)ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 88972229
2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 59867057
2-(6-sulfanylhexoxy)ethanol
CID 88540112
2-[2-(4-sulfanylbutanoyloxy)ethoxy]ethyl 4-sulfanylbutanoate
CID 87477903
3-butoxypropyl carbonochloridate
CID 139806426
10-propoxydecyl 5-sulfanylpentanoate
CID 54025623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate?
The IUPAC name of 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate (CID 87769608) is 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate.
What is the SMILES notation for 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate?
The canonical SMILES for 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate is O=C(Cl)OCCOCCOCCOCCCCCCCCCCCS.
What is the InChIKey of 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate?
The InChIKey is CUBFHXWTXDAOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35ClO5S/c19-18(20)24-16-15-23-14-13-22-12-11-21-10-8-6-4-2-1-3-5-7-9-17-25/h25H,1-17H2.
What are the key properties of 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate?
2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate has a molecular weight of 398.99 g/mol, XLogP of 4.85, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethyl carbonochloridate is sourced from PubChem (CID 87769608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).