ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium

C12H25OS+ — CID 23326622

IUPACethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium
SMILESCC[S+](C)CCCCCC1CCCO1
InChIInChI=1S/C12H25OS/c1-3-14(2)11-6-4-5-8-12-9-7-10-13-12/h12H,3-11H2,1-2H3/q+1
InChIKeyUYFJLQKETKVLTR-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.99
Rot. Bonds7

About ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium

ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium (PubChem CID 23326622) has the molecular formula C12H25OS+ and a molecular weight of 217.40 g/mol. Its IUPAC name is ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium.

Molecular Properties

Compound Nameethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium
PubChem CID23326622
Molecular FormulaC12H25OS+
Molecular Weight217.40 g/mol
Exact Mass217.16
IUPAC Nameethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium
SMILESCC[S+](C)CCCCCC1CCCO1
InChIInChI=1S/C12H25OS/c1-3-14(2)11-6-4-5-8-12-9-7-10-13-12/h12H,3-11H2,1-2H3/q+1
InChIKeyUYFJLQKETKVLTR-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium bromide
CID 88679185
diethyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 23326620
2-tetradecyloxolane
CID 10683364
2-hexyloxolane;oxolane
CID 173130151
cyclopropylmethyl-heptyl-[6-(oxan-2-yl)hexyl]sulfanium
CID 88679064
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 20531619
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
2-butyloxolane;pentylcyclopentane
CID 143579314
2-octadecyloxetane
CID 168986267
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium?
The IUPAC name of ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium (CID 23326622) is ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium.
What is the SMILES notation for ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium?
The canonical SMILES for ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium is CC[S+](C)CCCCCC1CCCO1.
What is the InChIKey of ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium?
The InChIKey is UYFJLQKETKVLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OS/c1-3-14(2)11-6-4-5-8-12-9-7-10-13-12/h12H,3-11H2,1-2H3/q+1.
What are the key properties of ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium?
ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium has a molecular weight of 217.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium is sourced from PubChem (CID 23326622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).