CID 88678094

C10H21OS+ — CID 88678094

IUPAC—
SMILESC=[S+](CC)(CC)C1CCCCO1
InChIInChI=1S/C10H21OS/c1-4-12(3,5-2)10-8-6-7-9-11-10/h10H,3-9H2,1-2H3/q+1
InChIKeyFGXMZUDYVMHKAL-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.14
Rot. Bonds3

About CID 88678094

CID 88678094 (PubChem CID 88678094) has the molecular formula C10H21OS+ and a molecular weight of 189.34 g/mol.

Molecular Properties

Compound NameCID 88678094
PubChem CID88678094
Molecular FormulaC10H21OS+
Molecular Weight189.34 g/mol
Exact Mass189.13
IUPAC Name—
SMILESC=[S+](CC)(CC)C1CCCCO1
InChIInChI=1S/C10H21OS/c1-4-12(3,5-2)10-8-6-7-9-11-10/h10H,3-9H2,1-2H3/q+1
InChIKeyFGXMZUDYVMHKAL-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 88679523
CID 88679523
2-methyloxane;propane
CID 171074580
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
ethanol;oxan-2-ylmethanol
CID 66900182
tributyl(oxan-2-ylmethyl)germane
CID 12036528
ethyl-(oxan-2-yl)-propylidene-λ4-sulfane
CID 56974101
oxan-2-yl(dipentyl)silane
CID 123620138
2-methyloxane;hydrochloride
CID 141105834
2-(oxan-2-ylmethyl)oxane
CID 67860654
cobalt(3+);oxane-2-thiolate
CID 156663958
N-methyl-N-propyloxan-2-amine
CID 91002672
2-but-1-enyloxane
CID 54120972

Frequently Asked Questions

What is the IUPAC name of CID 88678094?
The IUPAC name of CID 88678094 (CID 88678094) is not available.
What is the SMILES notation for CID 88678094?
The canonical SMILES for CID 88678094 is C=[S+](CC)(CC)C1CCCCO1.
What is the InChIKey of CID 88678094?
The InChIKey is FGXMZUDYVMHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21OS/c1-4-12(3,5-2)10-8-6-7-9-11-10/h10H,3-9H2,1-2H3/q+1.
What are the key properties of CID 88678094?
CID 88678094 has a molecular weight of 189.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88678094 is sourced from PubChem (CID 88678094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).