7-propylsulfonylheptan-3-ol

C10H22O3S — CID 106732439

IUPAC7-propylsulfonylheptan-3-ol
SMILESCCCS(=O)(=O)CCCCC(O)CC
InChIInChI=1S/C10H22O3S/c1-3-8-14(12,13)9-6-5-7-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyJINDSHVRMSHZCJ-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.75
Rot. Bonds8

About 7-propylsulfonylheptan-3-ol

7-propylsulfonylheptan-3-ol (PubChem CID 106732439) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 7-propylsulfonylheptan-3-ol.

Molecular Properties

Compound Name7-propylsulfonylheptan-3-ol
PubChem CID106732439
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name7-propylsulfonylheptan-3-ol
SMILESCCCS(=O)(=O)CCCCC(O)CC
InChIInChI=1S/C10H22O3S/c1-3-8-14(12,13)9-6-5-7-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyJINDSHVRMSHZCJ-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-propylsulfonylheptane
CID 106732536
1-ethylsulfonylnonan-4-ol
CID 65149246
8-propylsulfonyloctan-4-amine
CID 106732204
icosan-3-ol
CID 14940768
nonane-3,7-diol
CID 22141483
1-amino-4-propylsulfonylbutan-2-ol
CID 106734192
1-propylsulfonylpropane
CID 11709
icosane-3,10-diol
CID 141217833
dodecan-3-ol;propane
CID 159624658
1-cyclopropyl-4-propylsulfonylbutan-1-ol
CID 106729033
octan-3-ol;propan-2-ol;silane
CID 174446163
(5R)-heptane-1,5-diol
CID 170849468

Frequently Asked Questions

What is the IUPAC name of 7-propylsulfonylheptan-3-ol?
The IUPAC name of 7-propylsulfonylheptan-3-ol (CID 106732439) is 7-propylsulfonylheptan-3-ol.
What is the SMILES notation for 7-propylsulfonylheptan-3-ol?
The canonical SMILES for 7-propylsulfonylheptan-3-ol is CCCS(=O)(=O)CCCCC(O)CC.
What is the InChIKey of 7-propylsulfonylheptan-3-ol?
The InChIKey is JINDSHVRMSHZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-3-8-14(12,13)9-6-5-7-10(11)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 7-propylsulfonylheptan-3-ol?
7-propylsulfonylheptan-3-ol has a molecular weight of 222.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylsulfonylheptan-3-ol is sourced from PubChem (CID 106732439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).