1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane

C13H24S — CID 138632101

IUPAC1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane
SMILESC=C1C(SC(C)C)CC(C)C1C(C)C
InChIInChI=1S/C13H24S/c1-8(2)13-10(5)7-12(11(13)6)14-9(3)4/h8-10,12-13H,6-7H2,1-5H3
InChIKeyHWDKQHXMMFXCTB-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.36
Rot. Bonds3

About 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane

1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane (PubChem CID 138632101) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane.

Molecular Properties

Compound Name1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane
PubChem CID138632101
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane
SMILESC=C1C(SC(C)C)CC(C)C1C(C)C
InChIInChI=1S/C13H24S/c1-8(2)13-10(5)7-12(11(13)6)14-9(3)4/h8-10,12-13H,6-7H2,1-5H3
InChIKeyHWDKQHXMMFXCTB-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane?
The IUPAC name of 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane (CID 138632101) is 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane.
What is the SMILES notation for 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane?
The canonical SMILES for 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane is C=C1C(SC(C)C)CC(C)C1C(C)C.
What is the InChIKey of 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane?
The InChIKey is HWDKQHXMMFXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-8(2)13-10(5)7-12(11(13)6)14-9(3)4/h8-10,12-13H,6-7H2,1-5H3.
What are the key properties of 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane?
1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane has a molecular weight of 212.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidene-2-propan-2-yl-4-propan-2-ylsulfanylcyclopentane is sourced from PubChem (CID 138632101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).