1-(benzenesulfonyl)dec-9-en-2-yn-5-ol

C16H20O3S — CID 135049970

IUPAC1-(benzenesulfonyl)dec-9-en-2-yn-5-ol
SMILESC=CCCCC(O)CC#CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20O3S/c1-2-3-5-10-15(17)11-8-9-14-20(18,19)16-12-6-4-7-13-16/h2,4,6-7,12-13,15,17H,1,3,5,10-11,14H2
InChIKeyMTSOZVLRPDIXOM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.57
Rot. Bonds7

About 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol

1-(benzenesulfonyl)dec-9-en-2-yn-5-ol (PubChem CID 135049970) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)dec-9-en-2-yn-5-ol
PubChem CID135049970
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name1-(benzenesulfonyl)dec-9-en-2-yn-5-ol
SMILESC=CCCCC(O)CC#CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20O3S/c1-2-3-5-10-15(17)11-8-9-14-20(18,19)16-12-6-4-7-13-16/h2,4,6-7,12-13,15,17H,1,3,5,10-11,14H2
InChIKeyMTSOZVLRPDIXOM-UHFFFAOYSA-N
XLogP2.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Phenylsulfonyl)ethanol
CID 30202
10-(Benzenesulfonyl)deca-2,8-diyn-1-ol
CID 10062817
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
11-(Benzenesulfonyl)undeca-2,9-diyn-1-ol
CID 44326840
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
9-(Benzenesulfonyl)nona-2,7-diyn-1-ol
CID 44326929
1-(Benzenesulfonyl)propan-2-ol
CID 547258
1-(Phenylsulfinyl)propan-2-ol
CID 12619450
3-(Benzenesulfonyl)cyclobutan-1-ol
CID 12442438
2-Butanol, 1-bromo-4-(phenylsulfonyl)-
CID 85869382
Thiophene-3-ol, tetrahydro-4-(phenylsulfonyl)-, 1,1-dioxide
CID 2829780
(4E)-4-(benzenesulfonylmethylidene)oct-2-yn-1-ol
CID 57325954

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol?
The IUPAC name of 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol (CID 135049970) is 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol.
What is the SMILES notation for 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol?
The canonical SMILES for 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol is C=CCCCC(O)CC#CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol?
The InChIKey is MTSOZVLRPDIXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3S/c1-2-3-5-10-15(17)11-8-9-14-20(18,19)16-12-6-4-7-13-16/h2,4,6-7,12-13,15,17H,1,3,5,10-11,14H2.
What are the key properties of 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol?
1-(benzenesulfonyl)dec-9-en-2-yn-5-ol has a molecular weight of 292.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)dec-9-en-2-yn-5-ol is sourced from PubChem (CID 135049970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).