dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium

C16H21OS+ — CID 140681326

IUPACdimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium
SMILESC[S+](C)c1ccc(OC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H21OS/c1-16(2,3)17-14-10-11-15(18(4)5)13-9-7-6-8-12(13)14/h6-11H,1-5H3/q+1
InChIKeyAPBQTUSDRQPGHJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.25
Rot. Bonds2

About dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium

dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium (PubChem CID 140681326) has the molecular formula C16H21OS+ and a molecular weight of 261.41 g/mol. Its IUPAC name is dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium.

Molecular Properties

Compound Namedimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium
PubChem CID140681326
Molecular FormulaC16H21OS+
Molecular Weight261.41 g/mol
Exact Mass261.13
IUPAC Namedimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium
SMILESC[S+](C)c1ccc(OC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H21OS/c1-16(2,3)17-14-10-11-15(18(4)5)13-9-7-6-8-12(13)14/h6-11H,1-5H3/q+1
InChIKeyAPBQTUSDRQPGHJ-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(2-methylpropan-2-yl)oxy]naphthalene
CID 18761970
dimethyl-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]naphthalen-1-yl]sulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-dimethylsulfanium
CID 158548261
1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium
CID 140816243
1-(3,3-dimethylbutan-2-yl)-5-[(2-methylpropan-2-yl)oxy]naphthalene
CID 143952575
1-(1,1-difluoroethoxy)-4-methylnaphthalene
CID 160938661
2,3-bis[(2-methylpropan-2-yl)oxy]phenol
CID 22734690
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium
CID 58364006
[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 87491593
[1-[2-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxyphosphane
CID 71241204
4-[2-[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phenyl]-1,2-bis[(2-methylpropan-2-yl)oxy]benzene
CID 150309669
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol
CID 122385950

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium?
The IUPAC name of dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium (CID 140681326) is dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium.
What is the SMILES notation for dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium?
The canonical SMILES for dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium is C[S+](C)c1ccc(OC(C)(C)C)c2ccccc12.
What is the InChIKey of dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium?
The InChIKey is APBQTUSDRQPGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21OS/c1-16(2,3)17-14-10-11-15(18(4)5)13-9-7-6-8-12(13)14/h6-11H,1-5H3/q+1.
What are the key properties of dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium?
dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium has a molecular weight of 261.41 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]sulfanium is sourced from PubChem (CID 140681326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).