10-(benzenesulfonyl)deca-2,8-diyn-1-ol

C16H18O3S — CID 10062817

IUPAC10-(benzenesulfonyl)deca-2,8-diyn-1-ol
SMILESO=S(=O)(CC#CCCCCC#CCO)c1ccccc1
InChIInChI=1S/C16H18O3S/c17-14-10-5-3-1-2-4-6-11-15-20(18,19)16-12-8-7-9-13-16/h7-9,12-13,17H,1-4,14-15H2
InChIKeyPVGHRVIZDYZAQO-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.02
Rot. Bonds5

About 10-(benzenesulfonyl)deca-2,8-diyn-1-ol

10-(benzenesulfonyl)deca-2,8-diyn-1-ol (PubChem CID 10062817) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 10-(benzenesulfonyl)deca-2,8-diyn-1-ol.

Molecular Properties

Compound Name10-(benzenesulfonyl)deca-2,8-diyn-1-ol
PubChem CID10062817
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name10-(benzenesulfonyl)deca-2,8-diyn-1-ol
SMILESO=S(=O)(CC#CCCCCC#CCO)c1ccccc1
InChIInChI=1S/C16H18O3S/c17-14-10-5-3-1-2-4-6-11-15-20(18,19)16-12-8-7-9-13-16/h7-9,12-13,17H,1-4,14-15H2
InChIKeyPVGHRVIZDYZAQO-UHFFFAOYSA-N
XLogP2.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 69685
4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide
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2-Ethoxyethylsulfonylbenzene
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Phenyl propargyl sulfone
CID 137625
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
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CID 44326882
9-(Benzenesulfonyl)nona-2,7-diyn-1-ol
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CID 547258
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Frequently Asked Questions

What is the IUPAC name of 10-(benzenesulfonyl)deca-2,8-diyn-1-ol?
The IUPAC name of 10-(benzenesulfonyl)deca-2,8-diyn-1-ol (CID 10062817) is 10-(benzenesulfonyl)deca-2,8-diyn-1-ol.
What is the SMILES notation for 10-(benzenesulfonyl)deca-2,8-diyn-1-ol?
The canonical SMILES for 10-(benzenesulfonyl)deca-2,8-diyn-1-ol is O=S(=O)(CC#CCCCCC#CCO)c1ccccc1.
What is the InChIKey of 10-(benzenesulfonyl)deca-2,8-diyn-1-ol?
The InChIKey is PVGHRVIZDYZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c17-14-10-5-3-1-2-4-6-11-15-20(18,19)16-12-8-7-9-13-16/h7-9,12-13,17H,1-4,14-15H2.
What are the key properties of 10-(benzenesulfonyl)deca-2,8-diyn-1-ol?
10-(benzenesulfonyl)deca-2,8-diyn-1-ol has a molecular weight of 290.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzenesulfonyl)deca-2,8-diyn-1-ol is sourced from PubChem (CID 10062817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).