1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene

C15H24O2S — CID 10084415

IUPAC1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene
SMILESCC(C)OC(OC(C)C)C(C)Sc1ccccc1
InChIInChI=1S/C15H24O2S/c1-11(2)16-15(17-12(3)4)13(5)18-14-9-7-6-8-10-14/h6-13,15H,1-5H3
InChIKeyFNOORXPRWUIAOE-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.34
Rot. Bonds7

About 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene

1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene (PubChem CID 10084415) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene
PubChem CID10084415
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene
SMILESCC(C)OC(OC(C)C)C(C)Sc1ccccc1
InChIInChI=1S/C15H24O2S/c1-11(2)16-15(17-12(3)4)13(5)18-14-9-7-6-8-10-14/h6-13,15H,1-5H3
InChIKeyFNOORXPRWUIAOE-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, (phenylthio)-, ethyl ester
CID 97312
(Phenylthio)acetic acid, propyl ester
CID 177292
2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
1-[(2,2-Diethoxyethyl)thio]-4-fluorobenzene
CID 12475295
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
(2,2-Diethoxyethyl)(p-tolyl)sulfane
CID 7015317
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
1-(Phenylsulfanyl)-3-[(propan-2-yl)oxy]propan-2-ol
CID 60670968
(Phenylthio)acetic acid, butyl ester
CID 181774
(1-Fluoro-3-phenylsulfanylpropan-2-yl) acetate
CID 13791139

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene?
The IUPAC name of 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene (CID 10084415) is 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene?
The canonical SMILES for 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene is CC(C)OC(OC(C)C)C(C)Sc1ccccc1.
What is the InChIKey of 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene?
The InChIKey is FNOORXPRWUIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-11(2)16-15(17-12(3)4)13(5)18-14-9-7-6-8-10-14/h6-13,15H,1-5H3.
What are the key properties of 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene?
1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene has a molecular weight of 268.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yloxy)propan-2-ylsulfanylbenzene is sourced from PubChem (CID 10084415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).