2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene

C14H26S — CID 130415461

IUPAC2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene
SMILESC=C(CC(SC(C)C)C(=C)C)C(C)CC
InChIInChI=1S/C14H26S/c1-8-12(6)13(7)9-14(10(2)3)15-11(4)5/h11-12,14H,2,7-9H2,1,3-6H3
InChIKeyGUYIHRGTIQTPEY-UHFFFAOYSA-N
MW226.43 g/mol
LogP5.07
Rot. Bonds7

About 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene

2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene (PubChem CID 130415461) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene.

Molecular Properties

Compound Name2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene
PubChem CID130415461
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene
SMILESC=C(CC(SC(C)C)C(=C)C)C(C)CC
InChIInChI=1S/C14H26S/c1-8-12(6)13(7)9-14(10(2)3)15-11(4)5/h11-12,14H,2,7-9H2,1,3-6H3
InChIKeyGUYIHRGTIQTPEY-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.07
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

1-Pentylsulfanylethenylcyclohexane
CID 58150596
6-Methylene-4-(4-(methylthio)butyl)-1-thiaspiro[4.11]hexadecane
CID 380706
6-Fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene
CID 155274520
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
2-Methylsulfanylprop-2-enylcyclohexane
CID 85970198
1-Butylsulfanyl-2-cyclohexyl-4-methylpent-4-ene-1-selone
CID 134923182
2-Cyclohexyl-4-methyl-1-(2-methylpropylsulfanyl)pent-4-ene-1-selone
CID 134986849
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
1-Hex-5-enylsulfanyl-6-methylheptane
CID 23466487
3-Ethyl-5-methylidenethiepane
CID 53782997

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene?
The IUPAC name of 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene (CID 130415461) is 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene.
What is the SMILES notation for 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene?
The canonical SMILES for 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene is C=C(CC(SC(C)C)C(=C)C)C(C)CC.
What is the InChIKey of 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene?
The InChIKey is GUYIHRGTIQTPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-8-12(6)13(7)9-14(10(2)3)15-11(4)5/h11-12,14H,2,7-9H2,1,3-6H3.
What are the key properties of 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene?
2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene has a molecular weight of 226.43 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-methylidene-3-propan-2-ylsulfanyloct-1-ene is sourced from PubChem (CID 130415461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).