6-decylsulfonylhexane-1,2,3,4,5-pentol

C16H34O7S — CID 568528

IUPAC6-decylsulfonylhexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCS(=O)(=O)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C16H34O7S/c1-2-3-4-5-6-7-8-9-10-24(22,23)12-14(19)16(21)15(20)13(18)11-17/h13-21H,2-12H2,1H3
InChIKeyKVMVVZQAFTWEDN-UHFFFAOYSA-N
MW370.51 g/mol
LogP-0.02
Rot. Bonds15

About 6-decylsulfonylhexane-1,2,3,4,5-pentol

6-decylsulfonylhexane-1,2,3,4,5-pentol (PubChem CID 568528) has the molecular formula C16H34O7S and a molecular weight of 370.51 g/mol. Its IUPAC name is 6-decylsulfonylhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-decylsulfonylhexane-1,2,3,4,5-pentol
PubChem CID568528
Molecular FormulaC16H34O7S
Molecular Weight370.51 g/mol
Exact Mass370.20
IUPAC Name6-decylsulfonylhexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCS(=O)(=O)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C16H34O7S/c1-2-3-4-5-6-7-8-9-10-24(22,23)12-14(19)16(21)15(20)13(18)11-17/h13-21H,2-12H2,1H3
InChIKeyKVMVVZQAFTWEDN-UHFFFAOYSA-N
XLogP-0.02
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 24808560
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CID 162657234
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(icosylsulfonylmethyl)tetrahydrofuran-3,4-diol
CID 5273343
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(10-pentadecoxydecylsulfonylmethyl)tetrahydrofuran-3,4-diol
CID 5273344
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(octylsulfonyl)tetrahydro-2H-pyran-3,4,5-triol
CID 46894460
(1S,3R,4S,5R,6S,8R,10S,11R,12R)-1-oxo-1lambda4-thiacyclotridecane-3,4,5,6,8,10,11,12-octol
CID 162891377
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(nonylsulfonylmethyl)tetrahydrofuran-3,4-diol
CID 5270753
(2R,3S,4S,5R)-2-(decylsulfonylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 5270754
(2R,3S,4S,5R)-2-(dodecylsulfonylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 5270755
(2R,3S,4S,5R)-2-(hexadecylsulfonylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 5270756
1,6-Dimesylmannitol
CID 53776675
3-Octadecylsulfonylpropane-1,2-diol
CID 245961

Frequently Asked Questions

What is the IUPAC name of 6-decylsulfonylhexane-1,2,3,4,5-pentol?
The IUPAC name of 6-decylsulfonylhexane-1,2,3,4,5-pentol (CID 568528) is 6-decylsulfonylhexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-decylsulfonylhexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-decylsulfonylhexane-1,2,3,4,5-pentol is CCCCCCCCCCS(=O)(=O)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-decylsulfonylhexane-1,2,3,4,5-pentol?
The InChIKey is KVMVVZQAFTWEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O7S/c1-2-3-4-5-6-7-8-9-10-24(22,23)12-14(19)16(21)15(20)13(18)11-17/h13-21H,2-12H2,1H3.
What are the key properties of 6-decylsulfonylhexane-1,2,3,4,5-pentol?
6-decylsulfonylhexane-1,2,3,4,5-pentol has a molecular weight of 370.51 g/mol, XLogP of -0.02, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decylsulfonylhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 568528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).