2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane

C24H48OS — CID 23326719

IUPAC2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane
SMILESCC(C)CCSCCCCCCCCCCCCCCC1CCCCO1
InChIInChI=1S/C24H48OS/c1-23(2)19-22-26-21-16-12-10-8-6-4-3-5-7-9-11-13-17-24-18-14-15-20-25-24/h23-24H,3-22H2,1-2H3
InChIKeyQSTWPHSJHDEQGU-UHFFFAOYSA-N
MW384.71 g/mol
LogP8.41
Rot. Bonds18

About 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane

2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane (PubChem CID 23326719) has the molecular formula C24H48OS and a molecular weight of 384.71 g/mol. Its IUPAC name is 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane.

Molecular Properties

Compound Name2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane
PubChem CID23326719
Molecular FormulaC24H48OS
Molecular Weight384.71 g/mol
Exact Mass384.34
IUPAC Name2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane
SMILESCC(C)CCSCCCCCCCCCCCCCCC1CCCCO1
InChIInChI=1S/C24H48OS/c1-23(2)19-22-26-21-16-12-10-8-6-4-3-5-7-9-11-13-17-24-18-14-15-20-25-24/h23-24H,3-22H2,1-2H3
InChIKeyQSTWPHSJHDEQGU-UHFFFAOYSA-N
XLogP8.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(10-ethylsulfanyldecyl)oxane
CID 23326782
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
2-(5-methylhexyl)oxetane
CID 173452744
2-[7-methyl-6-[3-methyl-9-(oxan-2-yl)nonan-4-yl]sulfanylnonyl]oxane
CID 54258088
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-(6-butan-2-ylsulfanylhexyl)oxane;2-(6-cyclopentylsulfanylhexyl)oxolane
CID 20531622
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
2-(6-bromo-7-methyloctyl)oxolane
CID 65165254
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-methyl-3-[3-(oxolan-2-yl)propylsulfanyl]propan-1-amine
CID 66224560
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126

Frequently Asked Questions

What is the IUPAC name of 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane?
The IUPAC name of 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane (CID 23326719) is 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane.
What is the SMILES notation for 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane?
The canonical SMILES for 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane is CC(C)CCSCCCCCCCCCCCCCCC1CCCCO1.
What is the InChIKey of 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane?
The InChIKey is QSTWPHSJHDEQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48OS/c1-23(2)19-22-26-21-16-12-10-8-6-4-3-5-7-9-11-13-17-24-18-14-15-20-25-24/h23-24H,3-22H2,1-2H3.
What are the key properties of 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane?
2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane has a molecular weight of 384.71 g/mol, XLogP of 8.41, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane is sourced from PubChem (CID 23326719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).