(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol

C12H16O3S — CID 10890033

IUPAC(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
SMILESCC(C)C(O)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O3S/c1-10(2)12(13)8-9-16(14,15)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+
InChIKeyPEXSLQWTOBMNTD-CMDGGOBGSA-N
MW240.32 g/mol
LogP1.99
Rot. Bonds4

About (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol

(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol (PubChem CID 10890033) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
PubChem CID10890033
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
SMILESCC(C)C(O)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O3S/c1-10(2)12(13)8-9-16(14,15)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+
InChIKeyPEXSLQWTOBMNTD-CMDGGOBGSA-N
XLogP1.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol?
The IUPAC name of (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol (CID 10890033) is (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol.
What is the SMILES notation for (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol?
The canonical SMILES for (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol is CC(C)C(O)/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol?
The InChIKey is PEXSLQWTOBMNTD-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H16O3S/c1-10(2)12(13)8-9-16(14,15)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+.
What are the key properties of (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol?
(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol has a molecular weight of 240.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol is sourced from PubChem (CID 10890033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).