(Z)-3-methyl-1-methylsulfonylpent-2-ene

C7H14O2S — CID 143970798

IUPAC(Z)-3-methyl-1-methylsulfonylpent-2-ene
SMILESCC/C(C)=C\CS(C)(=O)=O
InChIInChI=1S/C7H14O2S/c1-4-7(2)5-6-10(3,8)9/h5H,4,6H2,1-3H3/b7-5-
InChIKeyXVMLACLOBCFUHN-ALCCZGGFSA-N
MW162.25 g/mol
LogP1.39
Rot. Bonds3

About (Z)-3-methyl-1-methylsulfonylpent-2-ene

(Z)-3-methyl-1-methylsulfonylpent-2-ene (PubChem CID 143970798) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (Z)-3-methyl-1-methylsulfonylpent-2-ene.

Molecular Properties

Compound Name(Z)-3-methyl-1-methylsulfonylpent-2-ene
PubChem CID143970798
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(Z)-3-methyl-1-methylsulfonylpent-2-ene
SMILESCC/C(C)=C\CS(C)(=O)=O
InChIInChI=1S/C7H14O2S/c1-4-7(2)5-6-10(3,8)9/h5H,4,6H2,1-3H3/b7-5-
InChIKeyXVMLACLOBCFUHN-ALCCZGGFSA-N
XLogP1.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-chloro-2-methyl-4-methylsulfonylbut-2-ene
CID 12572206
(E)-3-fluoro-1-methylsulfonylpent-2-ene
CID 143311068
2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)
CID 159513651
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
[(2E,6Z)-3,7-dimethylnona-2,6-dienyl] methanesulfonate
CID 10634187
(E)-4-methylhex-3-enoic acid
CID 14197237
(Z)-4-methylhex-3-enoic acid
CID 14197236
3-methylpent-2-en-1-amine
CID 76997051
(Z,4S)-4-hydroxy-5-methyl-7-methylsulfonylhept-5-en-2-one
CID 101123113
butan-2-one;ethane;1-methylsulfonylethane;propane
CID 159716961
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-1-methylsulfonylpent-2-ene?
The IUPAC name of (Z)-3-methyl-1-methylsulfonylpent-2-ene (CID 143970798) is (Z)-3-methyl-1-methylsulfonylpent-2-ene.
What is the SMILES notation for (Z)-3-methyl-1-methylsulfonylpent-2-ene?
The canonical SMILES for (Z)-3-methyl-1-methylsulfonylpent-2-ene is CC/C(C)=C\CS(C)(=O)=O.
What is the InChIKey of (Z)-3-methyl-1-methylsulfonylpent-2-ene?
The InChIKey is XVMLACLOBCFUHN-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H14O2S/c1-4-7(2)5-6-10(3,8)9/h5H,4,6H2,1-3H3/b7-5-.
What are the key properties of (Z)-3-methyl-1-methylsulfonylpent-2-ene?
(Z)-3-methyl-1-methylsulfonylpent-2-ene has a molecular weight of 162.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-1-methylsulfonylpent-2-ene is sourced from PubChem (CID 143970798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).