6-[(3S)-dithiolan-3-yl]hexan-1-ol

C9H18OS2 — CID 170367733

IUPAC6-[(3S)-dithiolan-3-yl]hexan-1-ol
SMILESOCCCCCC[C@H]1CCSS1
InChIInChI=1S/C9H18OS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h9-10H,1-8H2/t9-/m0/s1
InChIKeyKQJMKCKNBFWHRW-VIFPVBQESA-N
MW206.38 g/mol
LogP3.08
Rot. Bonds6

About 6-[(3S)-dithiolan-3-yl]hexan-1-ol

6-[(3S)-dithiolan-3-yl]hexan-1-ol (PubChem CID 170367733) has the molecular formula C9H18OS2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 6-[(3S)-dithiolan-3-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[(3S)-dithiolan-3-yl]hexan-1-ol
PubChem CID170367733
Molecular FormulaC9H18OS2
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name6-[(3S)-dithiolan-3-yl]hexan-1-ol
SMILESOCCCCCC[C@H]1CCSS1
InChIInChI=1S/C9H18OS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h9-10H,1-8H2/t9-/m0/s1
InChIKeyKQJMKCKNBFWHRW-VIFPVBQESA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-dithiolan-3-yl]hexan-1-ol?
The IUPAC name of 6-[(3S)-dithiolan-3-yl]hexan-1-ol (CID 170367733) is 6-[(3S)-dithiolan-3-yl]hexan-1-ol.
What is the SMILES notation for 6-[(3S)-dithiolan-3-yl]hexan-1-ol?
The canonical SMILES for 6-[(3S)-dithiolan-3-yl]hexan-1-ol is OCCCCCC[C@H]1CCSS1.
What is the InChIKey of 6-[(3S)-dithiolan-3-yl]hexan-1-ol?
The InChIKey is KQJMKCKNBFWHRW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18OS2/c10-7-4-2-1-3-5-9-6-8-11-12-9/h9-10H,1-8H2/t9-/m0/s1.
What are the key properties of 6-[(3S)-dithiolan-3-yl]hexan-1-ol?
6-[(3S)-dithiolan-3-yl]hexan-1-ol has a molecular weight of 206.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-dithiolan-3-yl]hexan-1-ol is sourced from PubChem (CID 170367733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).