(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane

C19H36S — CID 158183626

IUPAC(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane
SMILESC=C1CC[C@@H](CSCCCCCCCCCCCC)C1
InChIInChI=1S/C19H36S/c1-3-4-5-6-7-8-9-10-11-12-15-20-17-19-14-13-18(2)16-19/h19H,2-17H2,1H3/t19-/m1/s1
InChIKeyISOSHJISBOVWPR-LJQANCHMSA-N
MW296.56 g/mol
LogP7.00
Rot. Bonds13

About (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane

(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane (PubChem CID 158183626) has the molecular formula C19H36S and a molecular weight of 296.56 g/mol. Its IUPAC name is (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane.

Molecular Properties

Compound Name(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane
PubChem CID158183626
Molecular FormulaC19H36S
Molecular Weight296.56 g/mol
Exact Mass296.25
IUPAC Name(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane
SMILESC=C1CC[C@@H](CSCCCCCCCCCCCC)C1
InChIInChI=1S/C19H36S/c1-3-4-5-6-7-8-9-10-11-12-15-20-17-19-14-13-18(2)16-19/h19H,2-17H2,1H3/t19-/m1/s1
InChIKeyISOSHJISBOVWPR-LJQANCHMSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.56
LogP ≤ 57.00
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

(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane
CID 158183620
(5S)-5-(dodecylsulfanylmethyl)pyrrolidin-2-one
CID 56659135
1-hexylsulfanyloctadecane
CID 21424485
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane?
The IUPAC name of (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane (CID 158183626) is (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane.
What is the SMILES notation for (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane?
The canonical SMILES for (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane is C=C1CC[C@@H](CSCCCCCCCCCCCC)C1.
What is the InChIKey of (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane?
The InChIKey is ISOSHJISBOVWPR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H36S/c1-3-4-5-6-7-8-9-10-11-12-15-20-17-19-14-13-18(2)16-19/h19H,2-17H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane?
(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane has a molecular weight of 296.56 g/mol, XLogP of 7.00, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane is sourced from PubChem (CID 158183626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).