5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene

C12H24S — CID 129131607

IUPAC5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene
SMILESC=C(CSC)CC(C(C)C)C(C)C
InChIInChI=1S/C12H24S/c1-9(2)12(10(3)4)7-11(5)8-13-6/h9-10,12H,5,7-8H2,1-4,6H3
InChIKeyNEDKQXWAHAYNCR-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.22
Rot. Bonds6

About 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene

5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene (PubChem CID 129131607) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene.

Molecular Properties

Compound Name5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene
PubChem CID129131607
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene
SMILESC=C(CSC)CC(C(C)C)C(C)C
InChIInChI=1S/C12H24S/c1-9(2)12(10(3)4)7-11(5)8-13-6/h9-10,12H,5,7-8H2,1-4,6H3
InChIKeyNEDKQXWAHAYNCR-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(methylsulfanylmethyl)prop-2-en-1-amine
CID 103068398
2-(methylsulfanylmethyl)prop-2-enoic acid
CID 23336173
2-methyl-5-methylideneheptan-3-amine
CID 66044107
2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane
CID 137446349
1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne
CID 167039283
4-methyl-2-methylidenepentan-1-amine
CID 55284045
4,5-dimethylhex-1-en-2-amine
CID 129255783
(3E)-2,5-dimethyl-3-(methylsulfanylmethyl)hexa-1,3,5-triene
CID 143383124
methyl 2-(methylsulfanylmethyl)prop-2-enoate
CID 10749323
5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene
CID 130432201
4-methyl-3-propan-2-ylpentan-1-ol
CID 20683771
(2R)-N-ethyl-3-methyl-N-(1-methylsulfanylethenyl)butan-2-amine
CID 163568197

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene?
The IUPAC name of 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene (CID 129131607) is 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene.
What is the SMILES notation for 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene?
The canonical SMILES for 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene is C=C(CSC)CC(C(C)C)C(C)C.
What is the InChIKey of 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene?
The InChIKey is NEDKQXWAHAYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-9(2)12(10(3)4)7-11(5)8-13-6/h9-10,12H,5,7-8H2,1-4,6H3.
What are the key properties of 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene?
5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene has a molecular weight of 200.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene is sourced from PubChem (CID 129131607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).