2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene

C13H18S — CID 134360824

IUPAC2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene
SMILESC=CCSC(C(=C)C)C1=C(C)C=CC1
InChIInChI=1S/C13H18S/c1-5-9-14-13(10(2)3)12-8-6-7-11(12)4/h5-7,13H,1-2,8-9H2,3-4H3
InChIKeyPWHJSMLRVPFWFA-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.13
Rot. Bonds5

About 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene

2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene (PubChem CID 134360824) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene
PubChem CID134360824
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene
SMILESC=CCSC(C(=C)C)C1=C(C)C=CC1
InChIInChI=1S/C13H18S/c1-5-9-14-13(10(2)3)12-8-6-7-11(12)4/h5-7,13H,1-2,8-9H2,3-4H3
InChIKeyPWHJSMLRVPFWFA-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.13
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

2-Pentylthiapyran
CID 526620
1,2,3,4,4a,5a-Hexahydrodibenzo[b,d]thiophene
CID 71357657
(1E)-12-methylene-1-(3-methylsulfanylpropylsulfanyl)cyclododecene
CID 5799390
4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
7-Tetrahydrobenzo[b]thiophene
CID 18315883
Methylcyclopenta[b]thiophene
CID 21095561
7,7a-Dihydrobenzothiophen
CID 21584106
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681
3-Hexyl-2,5-dihydrothiophene
CID 57702302
2-Heptyl-2,5-dihydrothiophene
CID 57702304
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
Benzocycloheptathiophene
CID 87987742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene?
The IUPAC name of 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene (CID 134360824) is 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene is C=CCSC(C(=C)C)C1=C(C)C=CC1.
What is the InChIKey of 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene?
The InChIKey is PWHJSMLRVPFWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-5-9-14-13(10(2)3)12-8-6-7-11(12)4/h5-7,13H,1-2,8-9H2,3-4H3.
What are the key properties of 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene?
2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene has a molecular weight of 206.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene is sourced from PubChem (CID 134360824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).