2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol

C19H30O3S — CID 11078278

IUPAC2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol
SMILESC=C(C(O)CC(C)CCCC(C)(C)OC)S(=O)c1ccccc1
InChIInChI=1S/C19H30O3S/c1-15(10-9-13-19(3,4)22-5)14-18(20)16(2)23(21)17-11-7-6-8-12-17/h6-8,11-12,15,18,20H,2,9-10,13-14H2,1,3-5H3
InChIKeyOPPMRVOVELFYAC-UHFFFAOYSA-N
MW338.51 g/mol
LogP4.29
Rot. Bonds10

About 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol

2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol (PubChem CID 11078278) has the molecular formula C19H30O3S and a molecular weight of 338.51 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol.

Molecular Properties

Compound Name2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol
PubChem CID11078278
Molecular FormulaC19H30O3S
Molecular Weight338.51 g/mol
Exact Mass338.19
IUPAC Name2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol
SMILESC=C(C(O)CC(C)CCCC(C)(C)OC)S(=O)c1ccccc1
InChIInChI=1S/C19H30O3S/c1-15(10-9-13-19(3,4)22-5)14-18(20)16(2)23(21)17-11-7-6-8-12-17/h6-8,11-12,15,18,20H,2,9-10,13-14H2,1,3-5H3
InChIKeyOPPMRVOVELFYAC-UHFFFAOYSA-N
XLogP4.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol?
The IUPAC name of 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol (CID 11078278) is 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol.
What is the SMILES notation for 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol?
The canonical SMILES for 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol is C=C(C(O)CC(C)CCCC(C)(C)OC)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol?
The InChIKey is OPPMRVOVELFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3S/c1-15(10-9-13-19(3,4)22-5)14-18(20)16(2)23(21)17-11-7-6-8-12-17/h6-8,11-12,15,18,20H,2,9-10,13-14H2,1,3-5H3.
What are the key properties of 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol?
2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol has a molecular weight of 338.51 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-9-methoxy-5,9-dimethyldec-1-en-3-ol is sourced from PubChem (CID 11078278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).