(E)-3-methyl-2-methylsulfonylnon-2-ene

C11H22O2S — CID 134851608

IUPAC(E)-3-methyl-2-methylsulfonylnon-2-ene
SMILESCCCCCC/C(C)=C(\C)S(C)(=O)=O
InChIInChI=1S/C11H22O2S/c1-5-6-7-8-9-10(2)11(3)14(4,12)13/h5-9H2,1-4H3/b11-10+
InChIKeyJTZZLUUEWCLXNS-ZHACJKMWSA-N
MW218.36 g/mol
LogP3.30
Rot. Bonds6

About (E)-3-methyl-2-methylsulfonylnon-2-ene

(E)-3-methyl-2-methylsulfonylnon-2-ene (PubChem CID 134851608) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is (E)-3-methyl-2-methylsulfonylnon-2-ene.

Molecular Properties

Compound Name(E)-3-methyl-2-methylsulfonylnon-2-ene
PubChem CID134851608
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name(E)-3-methyl-2-methylsulfonylnon-2-ene
SMILESCCCCCC/C(C)=C(\C)S(C)(=O)=O
InChIInChI=1S/C11H22O2S/c1-5-6-7-8-9-10(2)11(3)14(4,12)13/h5-9H2,1-4H3/b11-10+
InChIKeyJTZZLUUEWCLXNS-ZHACJKMWSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-2-methylsulfonylnon-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide
CID 162413317
1-(Bromomethylsulfonyl)-2-methylcycloheptene
CID 20240618
2-Methyl-10-methylsulfonyldec-2-ene
CID 53798966
3,4-Dibutyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001464
3,4-Dimethyl-2,5-dipropyl-2,5-dihydrothiophene 1,1-dioxide
CID 67002011
3-Hexyl-4-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 67002063
1,2-Dimethylcyclopentene;3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 91525593
1-Butan-2-ylidene-4-methylsulfonylcyclohexane
CID 123347200
5,7-Dimethyl-2-methylsulfonylnona-2,3,4,7-tetraene
CID 123699557
(1Z,5E)-1-methyl-6-methylsulfonylcyclodeca-1,5-diene
CID 126635593
2-Ethylcyclohexene-1-sulfonyl chloride
CID 141012059
3,4-Dimethylcyclohex-3-ene-1-sulfinate
CID 163715987

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-methylsulfonylnon-2-ene?
The IUPAC name of (E)-3-methyl-2-methylsulfonylnon-2-ene (CID 134851608) is (E)-3-methyl-2-methylsulfonylnon-2-ene.
What is the SMILES notation for (E)-3-methyl-2-methylsulfonylnon-2-ene?
The canonical SMILES for (E)-3-methyl-2-methylsulfonylnon-2-ene is CCCCCC/C(C)=C(\C)S(C)(=O)=O.
What is the InChIKey of (E)-3-methyl-2-methylsulfonylnon-2-ene?
The InChIKey is JTZZLUUEWCLXNS-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22O2S/c1-5-6-7-8-9-10(2)11(3)14(4,12)13/h5-9H2,1-4H3/b11-10+.
What are the key properties of (E)-3-methyl-2-methylsulfonylnon-2-ene?
(E)-3-methyl-2-methylsulfonylnon-2-ene has a molecular weight of 218.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-methylsulfonylnon-2-ene is sourced from PubChem (CID 134851608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).