2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene

C12H22O2S — CID 57106864

IUPAC2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene
SMILESCCCC(C)=CS(=O)(=O)C=C(C)CCC
InChIInChI=1S/C12H22O2S/c1-5-7-11(3)9-15(13,14)10-12(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyREALHIGQSXUMNC-UHFFFAOYSA-N
MW230.37 g/mol
LogP3.81
Rot. Bonds6

About 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene

2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene (PubChem CID 57106864) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene.

Molecular Properties

Compound Name2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene
PubChem CID57106864
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene
SMILESCCCC(C)=CS(=O)(=O)C=C(C)CCC
InChIInChI=1S/C12H22O2S/c1-5-7-11(3)9-15(13,14)10-12(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyREALHIGQSXUMNC-UHFFFAOYSA-N
XLogP3.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175555923
(5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide
CID 174111899
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
(E)-N,N-diethyl-2-methylpent-1-en-1-amine
CID 15094783
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
CID 142029528
(Z)-3-methyl-1-methylsulfonylpent-2-ene
CID 143970798
(E)-2,5-dimethyloct-4-ene
CID 173056267
(E)-3-chloro-2-methylprop-1-ene-1-sulfonamide
CID 55301289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene?
The IUPAC name of 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene (CID 57106864) is 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene.
What is the SMILES notation for 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene?
The canonical SMILES for 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene is CCCC(C)=CS(=O)(=O)C=C(C)CCC.
What is the InChIKey of 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene?
The InChIKey is REALHIGQSXUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S/c1-5-7-11(3)9-15(13,14)10-12(4)8-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene?
2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene has a molecular weight of 230.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene is sourced from PubChem (CID 57106864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).