2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane

C34H50O4S — CID 10187667

IUPAC2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane
SMILESCC(CCCCSCCCCC(C)(OC1CCCCO1)c1ccccc1)(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C34H50O4S/c1-33(29-17-5-3-6-18-29,37-31-21-9-13-25-35-31)23-11-15-27-39-28-16-12-24-34(2,30-19-7-4-8-20-30)38-32-22-10-14-26-36-32/h3-8,17-20,31-32H,9-16,21-28H2,1-2H3
InChIKeyQIWINRWQNCPNJL-UHFFFAOYSA-N
MW554.84 g/mol
LogP8.98
Rot. Bonds16

About 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane

2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane (PubChem CID 10187667) has the molecular formula C34H50O4S and a molecular weight of 554.84 g/mol. Its IUPAC name is 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane
PubChem CID10187667
Molecular FormulaC34H50O4S
Molecular Weight554.84 g/mol
Exact Mass554.34
IUPAC Name2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane
SMILESCC(CCCCSCCCCC(C)(OC1CCCCO1)c1ccccc1)(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C34H50O4S/c1-33(29-17-5-3-6-18-29,37-31-21-9-13-25-35-31)23-11-15-27-39-28-16-12-24-34(2,30-19-7-4-8-20-30)38-32-22-10-14-26-36-32/h3-8,17-20,31-32H,9-16,21-28H2,1-2H3
InChIKeyQIWINRWQNCPNJL-UHFFFAOYSA-N
XLogP8.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.84
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane 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

(2R,4R,4aS,6S,8aR)-4-[bis(ethylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 44588352
Thiahexatroxane
CID 503995
2-Ethylsulfanyl-6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxane
CID 164680044
4-[Bis(propylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 434968
2-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)thian-2-yl]oxyoxane
CID 59141073
(6-Ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate
CID 72773025
2-[Bis(ethylsulfanyl)methyl]-4,9-diphenyl-3,5,8,10-tetraoxabicyclo[4.4.0]decane
CID 301050
(2R,3R,4S,5R,6S)-2-(1,3-dithian-2-ylmethyl)-6-methoxy-4,5-bis(methoxymethoxy)-3-phenylmethoxyoxane
CID 10390158
(4S,6R)-2-phenyl-4,6-bis[(2-phenyl-1,3-dithian-2-yl)methyl]-1,3-dioxane
CID 57327238
2-(3,5-Dimethoxy-2-phenylsulfanyloxan-4-yl)oxy-3,4-dimethoxy-6-methyl-5-phenylmethoxyoxane
CID 72808512
1,3-Bis(5,5-dimethyl-2-phenyl-1,3-oxathian-2-yl)-propane
CID 86225570
1,4-Bis(5,5-dimethyl-2-phenyl-1,3-oxathian-2-yl)-butane
CID 86225571

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane?
The IUPAC name of 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane (CID 10187667) is 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane.
What is the SMILES notation for 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane?
The canonical SMILES for 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane is CC(CCCCSCCCCC(C)(OC1CCCCO1)c1ccccc1)(OC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane?
The InChIKey is QIWINRWQNCPNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O4S/c1-33(29-17-5-3-6-18-29,37-31-21-9-13-25-35-31)23-11-15-27-39-28-16-12-24-34(2,30-19-7-4-8-20-30)38-32-22-10-14-26-36-32/h3-8,17-20,31-32H,9-16,21-28H2,1-2H3.
What are the key properties of 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane?
2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane has a molecular weight of 554.84 g/mol, XLogP of 8.98, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(oxan-2-yloxy)-5-phenylhexyl]sulfanyl-2-phenylhexan-2-yl]oxyoxane is sourced from PubChem (CID 10187667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).