CID 173264197

C20H34NaO6S — CID 173264197

IUPAC—
SMILESCCCCCCCCC(C)(OCCOc1ccccc1)OOS(=O)(=O)CC.[Na]
InChIInChI=1S/C20H34O6S.Na/c1-4-6-7-8-9-13-16-20(3,25-26-27(21,22)5-2)24-18-17-23-19-14-11-10-12-15-19;/h10-12,14-15H,4-9,13,16-18H2,1-3H3;
InChIKeySHAMTICSHUAVRX-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.47
Rot. Bonds16

About CID 173264197

CID 173264197 (PubChem CID 173264197) has the molecular formula C20H34NaO6S and a molecular weight of 425.54 g/mol.

Molecular Properties

Compound NameCID 173264197
PubChem CID173264197
Molecular FormulaC20H34NaO6S
Molecular Weight425.54 g/mol
Exact Mass425.20
IUPAC Name—
SMILESCCCCCCCCC(C)(OCCOc1ccccc1)OOS(=O)(=O)CC.[Na]
InChIInChI=1S/C20H34O6S.Na/c1-4-6-7-8-9-13-16-20(3,25-26-27(21,22)5-2)24-18-17-23-19-14-11-10-12-15-19;/h10-12,14-15H,4-9,13,16-18H2,1-3H3;
InChIKeySHAMTICSHUAVRX-UHFFFAOYSA-N
XLogP4.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 173264197 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

azane;2-(2-phenoxyethoxy)decan-2-yl dihydrogen phosphate
CID 173337947
pentoxybenzene;undecane
CID 174778179
azane;pentoxybenzene;sulfuric acid
CID 173020031
nonyl 2-phenoxyethoxy sulfate
CID 158912103
3-phenoxypropyl pentane-1-sulfonate
CID 143878300
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-ethoxy-2-(2-phenoxyethyl)nonanoic acid
CID 151537515
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
2-(2-phenoxyethoxy)pentan-2-ol
CID 141202879

Frequently Asked Questions

What is the IUPAC name of CID 173264197?
The IUPAC name of CID 173264197 (CID 173264197) is not available.
What is the SMILES notation for CID 173264197?
The canonical SMILES for CID 173264197 is CCCCCCCCC(C)(OCCOc1ccccc1)OOS(=O)(=O)CC.[Na].
What is the InChIKey of CID 173264197?
The InChIKey is SHAMTICSHUAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6S.Na/c1-4-6-7-8-9-13-16-20(3,25-26-27(21,22)5-2)24-18-17-23-19-14-11-10-12-15-19;/h10-12,14-15H,4-9,13,16-18H2,1-3H3;.
What are the key properties of CID 173264197?
CID 173264197 has a molecular weight of 425.54 g/mol, XLogP of 4.47, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173264197 is sourced from PubChem (CID 173264197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).