4-propan-2-yl-3-propan-2-yloxydithiolane

C9H18OS2 — CID 169266872

IUPAC4-propan-2-yl-3-propan-2-yloxydithiolane
SMILESCC(C)OC1SSCC1C(C)C
InChIInChI=1S/C9H18OS2/c1-6(2)8-5-11-12-9(8)10-7(3)4/h6-9H,5H2,1-4H3
InChIKeyFQVDGGYOPQRSFB-UHFFFAOYSA-N
MW206.38 g/mol
LogP3.40
Rot. Bonds3

About 4-propan-2-yl-3-propan-2-yloxydithiolane

4-propan-2-yl-3-propan-2-yloxydithiolane (PubChem CID 169266872) has the molecular formula C9H18OS2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 4-propan-2-yl-3-propan-2-yloxydithiolane.

Molecular Properties

Compound Name4-propan-2-yl-3-propan-2-yloxydithiolane
PubChem CID169266872
Molecular FormulaC9H18OS2
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name4-propan-2-yl-3-propan-2-yloxydithiolane
SMILESCC(C)OC1SSCC1C(C)C
InChIInChI=1S/C9H18OS2/c1-6(2)8-5-11-12-9(8)10-7(3)4/h6-9H,5H2,1-4H3
InChIKeyFQVDGGYOPQRSFB-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
CID 153444670
(4S)-3,3-dimethyl-4-propan-2-yloxydithiolane
CID 170710533
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
cis-(1S,2R)-2-propan-2-yloxycyclopropan-1-amine
CID 171466895
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
(2R)-2-methyl-3-propan-2-ylthietane
CID 118612980
(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine
CID 162785126
3-methyl-4-propan-2-ylthiolane
CID 59596318
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
4-propan-2-yl-3-propan-2-yloxycyclohexan-1-one
CID 165497021
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
1-propan-2-yl-2-(2-propan-2-yloxyethyl)cyclopropane
CID 155609255

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-propan-2-yloxydithiolane?
The IUPAC name of 4-propan-2-yl-3-propan-2-yloxydithiolane (CID 169266872) is 4-propan-2-yl-3-propan-2-yloxydithiolane.
What is the SMILES notation for 4-propan-2-yl-3-propan-2-yloxydithiolane?
The canonical SMILES for 4-propan-2-yl-3-propan-2-yloxydithiolane is CC(C)OC1SSCC1C(C)C.
What is the InChIKey of 4-propan-2-yl-3-propan-2-yloxydithiolane?
The InChIKey is FQVDGGYOPQRSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS2/c1-6(2)8-5-11-12-9(8)10-7(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 4-propan-2-yl-3-propan-2-yloxydithiolane?
4-propan-2-yl-3-propan-2-yloxydithiolane has a molecular weight of 206.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-propan-2-yloxydithiolane is sourced from PubChem (CID 169266872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).