(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane

C12H22S — CID 158183620

IUPAC(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane
SMILESC=C1CC[C@@H](CSCCCCC)C1
InChIInChI=1S/C12H22S/c1-3-4-5-8-13-10-12-7-6-11(2)9-12/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyPMFXUPLQTRULAC-GFCCVEGCSA-N
MW198.37 g/mol
LogP4.27
Rot. Bonds6

About (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane

(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane (PubChem CID 158183620) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane.

Molecular Properties

Compound Name(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane
PubChem CID158183620
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane
SMILESC=C1CC[C@@H](CSCCCCC)C1
InChIInChI=1S/C12H22S/c1-3-4-5-8-13-10-12-7-6-11(2)9-12/h12H,2-10H2,1H3/t12-/m1/s1
InChIKeyPMFXUPLQTRULAC-GFCCVEGCSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane
CID 158183626
(5S)-5-(dodecylsulfanylmethyl)pyrrolidin-2-one
CID 56659135
1-hexylsulfanyltetradecane
CID 87077491
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-tetracosylsulfanyloctacosane
CID 87077758
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane?
The IUPAC name of (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane (CID 158183620) is (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane.
What is the SMILES notation for (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane?
The canonical SMILES for (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane is C=C1CC[C@@H](CSCCCCC)C1.
What is the InChIKey of (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane?
The InChIKey is PMFXUPLQTRULAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22S/c1-3-4-5-8-13-10-12-7-6-11(2)9-12/h12H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane?
(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane has a molecular weight of 198.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane is sourced from PubChem (CID 158183620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).