1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane

C18H38OS2 — CID 27255783

IUPAC1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane
SMILESCCCCCCSC[C@@H](C)O[C@@H](C)CSCCCCCC
InChIInChI=1S/C18H38OS2/c1-5-7-9-11-13-20-15-17(3)19-18(4)16-21-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3/t17-,18+
InChIKeyCRAZKLZNOFAKBF-HDICACEKSA-N
MW334.64 g/mol
LogP6.41
Rot. Bonds16

About 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane

1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane (PubChem CID 27255783) has the molecular formula C18H38OS2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane.

Molecular Properties

Compound Name1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane
PubChem CID27255783
Molecular FormulaC18H38OS2
Molecular Weight334.64 g/mol
Exact Mass334.24
IUPAC Name1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane
SMILESCCCCCCSC[C@@H](C)O[C@@H](C)CSCCCCCC
InChIInChI=1S/C18H38OS2/c1-5-7-9-11-13-20-15-17(3)19-18(4)16-21-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3/t17-,18+
InChIKeyCRAZKLZNOFAKBF-HDICACEKSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.64
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hexylsulfanylpropylsulfanyl)hexane
CID 4232997
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane?
The IUPAC name of 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane (CID 27255783) is 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane.
What is the SMILES notation for 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane?
The canonical SMILES for 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane is CCCCCCSC[C@@H](C)O[C@@H](C)CSCCCCCC.
What is the InChIKey of 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane?
The InChIKey is CRAZKLZNOFAKBF-HDICACEKSA-N. The full InChI is InChI=1S/C18H38OS2/c1-5-7-9-11-13-20-15-17(3)19-18(4)16-21-14-12-10-8-6-2/h17-18H,5-16H2,1-4H3/t17-,18+.
What are the key properties of 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane?
1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane has a molecular weight of 334.64 g/mol, XLogP of 6.41, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane is sourced from PubChem (CID 27255783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).