3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane

C13H26S — CID 155026943

IUPAC3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane
SMILESC=C(CC(CC)C(C)CSC)C(C)C
InChIInChI=1S/C13H26S/c1-7-13(12(5)9-14-6)8-11(4)10(2)3/h10,12-13H,4,7-9H2,1-3,5-6H3
InChIKeyJLZGBVKFJRLIJB-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.61
Rot. Bonds7

About 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane

3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane (PubChem CID 155026943) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane.

Molecular Properties

Compound Name3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane
PubChem CID155026943
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane
SMILESC=C(CC(CC)C(C)CSC)C(C)C
InChIInChI=1S/C13H26S/c1-7-13(12(5)9-14-6)8-11(4)10(2)3/h10,12-13H,4,7-9H2,1-3,5-6H3
InChIKeyJLZGBVKFJRLIJB-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.61
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

Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
1-Pentylsulfanylethenylcyclohexane
CID 58150596
6-Fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene
CID 155274520
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
4,7-Di(methylthio)menth-1-ene
CID 129882097
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
2,5-Dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
CID 162565819
(4Z)-2-methyl-4-(3,3,3-trifluoropropylsulfanylmethylidene)heptane
CID 162576874
Cyclohexene, 1-methyl-4-[1-methyl-1,2-bis-(methylthio)ethyl]
CID 524121
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
1-Hex-5-enylsulfanyl-6-methylheptane
CID 23466487
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane?
The IUPAC name of 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane (CID 155026943) is 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane.
What is the SMILES notation for 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane?
The canonical SMILES for 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane is C=C(CC(CC)C(C)CSC)C(C)C.
What is the InChIKey of 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane?
The InChIKey is JLZGBVKFJRLIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-7-13(12(5)9-14-6)8-11(4)10(2)3/h10,12-13H,4,7-9H2,1-3,5-6H3.
What are the key properties of 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane?
3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane has a molecular weight of 214.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethyl-5-methylidene-1-methylsulfanylheptane is sourced from PubChem (CID 155026943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).