2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid

C17H34O7S — CID 122401894

IUPAC2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid
SMILESO=C(O)COCOCOCOCOCCCCCCCCCCCS
InChIInChI=1S/C17H34O7S/c18-17(19)12-21-14-23-16-24-15-22-13-20-10-8-6-4-2-1-3-5-7-9-11-25/h25H,1-16H2,(H,18,19)
InChIKeyYLRMUCMFTMVURR-UHFFFAOYSA-N
MW382.52 g/mol
LogP3.42
Rot. Bonds21

About 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid

2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid (PubChem CID 122401894) has the molecular formula C17H34O7S and a molecular weight of 382.52 g/mol. Its IUPAC name is 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid.

Molecular Properties

Compound Name2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid
PubChem CID122401894
Molecular FormulaC17H34O7S
Molecular Weight382.52 g/mol
Exact Mass382.20
IUPAC Name2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid
SMILESO=C(O)COCOCOCOCOCCCCCCCCCCCS
InChIInChI=1S/C17H34O7S/c18-17(19)12-21-14-23-16-24-15-22-13-20-10-8-6-4-2-1-3-5-7-9-11-25/h25H,1-16H2,(H,18,19)
InChIKeyYLRMUCMFTMVURR-UHFFFAOYSA-N
XLogP3.42
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-pentadecoxyacetic acid
CID 19866534
2-(12-fluorododecoxy)acetic acid
CID 21195352
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
4-chloro-1-[2-(11-sulfanylundecoxy)ethoxy]butan-2-one
CID 59422686
2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid
CID 155770977
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
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-hexoxyethoxy)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 175716129

Frequently Asked Questions

What is the IUPAC name of 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid?
The IUPAC name of 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid (CID 122401894) is 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid.
What is the SMILES notation for 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid?
The canonical SMILES for 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid is O=C(O)COCOCOCOCOCCCCCCCCCCCS.
What is the InChIKey of 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid?
The InChIKey is YLRMUCMFTMVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O7S/c18-17(19)12-21-14-23-16-24-15-22-13-20-10-8-6-4-2-1-3-5-7-9-11-25/h25H,1-16H2,(H,18,19).
What are the key properties of 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid?
2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid has a molecular weight of 382.52 g/mol, XLogP of 3.42, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-sulfanylundecoxymethoxymethoxymethoxymethoxy)acetic acid is sourced from PubChem (CID 122401894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).