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

C13H26S — CID 134851256

IUPAC(E)-3-methyl-2-methylsulfanylundec-2-ene
SMILESCCCCCCCC/C(C)=C(\C)SC
InChIInChI=1S/C13H26S/c1-5-6-7-8-9-10-11-12(2)13(3)14-4/h5-11H2,1-4H3/b13-12+
InChIKeyKXKZHVRICSONHN-OUKQBFOZSA-N
MW214.42 g/mol
LogP5.39
Rot. Bonds8

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

(E)-3-methyl-2-methylsulfanylundec-2-ene (PubChem CID 134851256) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is (E)-3-methyl-2-methylsulfanylundec-2-ene.

Molecular Properties

Compound Name(E)-3-methyl-2-methylsulfanylundec-2-ene
PubChem CID134851256
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(E)-3-methyl-2-methylsulfanylundec-2-ene
SMILESCCCCCCCC/C(C)=C(\C)SC
InChIInChI=1S/C13H26S/c1-5-6-7-8-9-10-11-12(2)13(3)14-4/h5-11H2,1-4H3/b13-12+
InChIKeyKXKZHVRICSONHN-OUKQBFOZSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-2-methylsulfanylundec-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

1-Methylsulfanylpropylidenecyclohexane
CID 12397148
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
InChI=1/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H
CID 5325879
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
(E)-4-ethyl-5-methylsulfanyloct-4-ene
CID 134851418
(E)-5-ethyl-6-methylsulfanyldec-5-ene
CID 134862221
2,3-Dimethyl-7-methylsulfanylhept-2-ene
CID 87187554
6-(1-Pentylsulfanylethylidene)undecane
CID 87585456
3-(2-Methylcyclohexen-1-yl)propanethial
CID 87599825
7-Ethylsulfanyl-2,3-dimethylhept-2-ene
CID 91079970

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-methylsulfanylundec-2-ene?
The IUPAC name of (E)-3-methyl-2-methylsulfanylundec-2-ene (CID 134851256) is (E)-3-methyl-2-methylsulfanylundec-2-ene.
What is the SMILES notation for (E)-3-methyl-2-methylsulfanylundec-2-ene?
The canonical SMILES for (E)-3-methyl-2-methylsulfanylundec-2-ene is CCCCCCCC/C(C)=C(\C)SC.
What is the InChIKey of (E)-3-methyl-2-methylsulfanylundec-2-ene?
The InChIKey is KXKZHVRICSONHN-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H26S/c1-5-6-7-8-9-10-11-12(2)13(3)14-4/h5-11H2,1-4H3/b13-12+.
What are the key properties of (E)-3-methyl-2-methylsulfanylundec-2-ene?
(E)-3-methyl-2-methylsulfanylundec-2-ene has a molecular weight of 214.42 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-methylsulfanylundec-2-ene is sourced from PubChem (CID 134851256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).