1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol

C13H26OS5 — CID 10970402

IUPAC1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol
SMILESOCC1CSCCCSCCSCCSCCCS1
InChIInChI=1S/C13H26OS5/c14-11-13-12-18-5-1-3-15-7-9-17-10-8-16-4-2-6-19-13/h13-14H,1-12H2
InChIKeyZBXYDBPBVJTCMG-UHFFFAOYSA-N
MW358.69 g/mol
LogP3.81
Rot. Bonds1

About 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol

1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol (PubChem CID 10970402) has the molecular formula C13H26OS5 and a molecular weight of 358.69 g/mol. Its IUPAC name is 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol.

Molecular Properties

Compound Name1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol
PubChem CID10970402
Molecular FormulaC13H26OS5
Molecular Weight358.69 g/mol
Exact Mass358.06
IUPAC Name1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol
SMILESOCC1CSCCCSCCSCCSCCCS1
InChIInChI=1S/C13H26OS5/c14-11-13-12-18-5-1-3-15-7-9-17-10-8-16-4-2-6-19-13/h13-14H,1-12H2
InChIKeyZBXYDBPBVJTCMG-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
CID 62090
1,5,9,13-Tetrathiacyclohexadecane-3,11-diol
CID 373813
1,3-Bis(2-hydroxyethylthio)propane
CID 373735
2-((5-((2-Hydroxyethyl)sulfanyl)pentyl)sulfanyl)ethan-1-ol
CID 223140
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
1,4,8,11-Tetrathiacyclotetradecan-6-ol
CID 373840
2-Butanethiol, 3-((2-hydroxy-1-methylpropyl)thio)-, sodium salt (1:1)
CID 23675904
3,6,9,12-Tetrathiatetradecane-1,14-diol
CID 19882026
1,4,8,12-Tetrathiacyclopentadecan-10-ol
CID 373841
1-Propanol, 3,3'-[1,2-ethanediylbis(thio)]bis-
CID 548322
Hydroxy-butyl sulfide
CID 14717696
3-(2,3-Dimercaptopropylthio)-2-mercapto-1-propanol
CID 474215

Frequently Asked Questions

What is the IUPAC name of 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol?
The IUPAC name of 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol (CID 10970402) is 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol.
What is the SMILES notation for 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol?
The canonical SMILES for 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol is OCC1CSCCCSCCSCCSCCCS1.
What is the InChIKey of 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol?
The InChIKey is ZBXYDBPBVJTCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS5/c14-11-13-12-18-5-1-3-15-7-9-17-10-8-16-4-2-6-19-13/h13-14H,1-12H2.
What are the key properties of 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol?
1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol has a molecular weight of 358.69 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,11,14-pentathiacycloheptadec-12-ylmethanol is sourced from PubChem (CID 10970402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).