(E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene

C10H16O2S — CID 101213467

IUPAC(E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene
SMILESC#CCS(=O)(=O)C/C=C/C(C)(C)C
InChIInChI=1S/C10H16O2S/c1-5-8-13(11,12)9-6-7-10(2,3)4/h1,6-7H,8-9H2,2-4H3/b7-6+
InChIKeyQMRNADXYJYBVLB-VOTSOKGWSA-N
MW200.30 g/mol
LogP1.64
Rot. Bonds3

About (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene

(E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene (PubChem CID 101213467) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene.

Molecular Properties

Compound Name(E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene
PubChem CID101213467
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name(E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene
SMILESC#CCS(=O)(=O)C/C=C/C(C)(C)C
InChIInChI=1S/C10H16O2S/c1-5-8-13(11,12)9-6-7-10(2,3)4/h1,6-7H,8-9H2,2-4H3/b7-6+
InChIKeyQMRNADXYJYBVLB-VOTSOKGWSA-N
XLogP1.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene?
The IUPAC name of (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene (CID 101213467) is (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene.
What is the SMILES notation for (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene?
The canonical SMILES for (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene is C#CCS(=O)(=O)C/C=C/C(C)(C)C.
What is the InChIKey of (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene?
The InChIKey is QMRNADXYJYBVLB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16O2S/c1-5-8-13(11,12)9-6-7-10(2,3)4/h1,6-7H,8-9H2,2-4H3/b7-6+.
What are the key properties of (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene?
(E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene has a molecular weight of 200.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene is sourced from PubChem (CID 101213467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).