3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane

C11H20S — CID 138475249

IUPAC3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane
SMILESC=C(CCC)C(C)SC=C(C)C
InChIInChI=1S/C11H20S/c1-6-7-10(4)11(5)12-8-9(2)3/h8,11H,4,6-7H2,1-3,5H3
InChIKeyMPOZBQFERAMSPM-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.39
Rot. Bonds5

About 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane

3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane (PubChem CID 138475249) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane.

Molecular Properties

Compound Name3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane
PubChem CID138475249
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane
SMILESC=C(CCC)C(C)SC=C(C)C
InChIInChI=1S/C11H20S/c1-6-7-10(4)11(5)12-8-9(2)3/h8,11H,4,6-7H2,1-3,5H3
InChIKeyMPOZBQFERAMSPM-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.39
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

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5-methylidene-2-methylsulfanyl-4-propan-2-yloct-1-ene
CID 130432201
1-iodo-2-methylidenepentan-1-ol
CID 90371441
2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene
CID 173400648
4-chloro-5-methylideneoctane
CID 56986746
methane;hexakis(2-methylpent-1-ene)
CID 175346690
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
2,4-dimethyl-6-methylidenenon-3-ene
CID 123168107
(3E)-N-butan-2-yl-N,3-dimethyl-6-methylidenenona-1,3-dien-5-amine
CID 134292168
7-ethenyl-8-methyldecan-4-one
CID 176967408

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane?
The IUPAC name of 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane (CID 138475249) is 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane.
What is the SMILES notation for 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane?
The canonical SMILES for 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane is C=C(CCC)C(C)SC=C(C)C.
What is the InChIKey of 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane?
The InChIKey is MPOZBQFERAMSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-6-7-10(4)11(5)12-8-9(2)3/h8,11H,4,6-7H2,1-3,5H3.
What are the key properties of 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane?
3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane has a molecular weight of 184.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane is sourced from PubChem (CID 138475249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).