1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane

C14H26S2 — CID 87155135

IUPAC1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane
SMILESCCC1(SSC2(CC)CCCC2)CCCC1
InChIInChI=1S/C14H26S2/c1-3-13(9-5-6-10-13)15-16-14(4-2)11-7-8-12-14/h3-12H2,1-2H3
InChIKeyXTIVMPUDDLCXLP-UHFFFAOYSA-N
MW258.50 g/mol
LogP5.81
Rot. Bonds5

About 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane

1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane (PubChem CID 87155135) has the molecular formula C14H26S2 and a molecular weight of 258.50 g/mol. Its IUPAC name is 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane.

Molecular Properties

Compound Name1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane
PubChem CID87155135
Molecular FormulaC14H26S2
Molecular Weight258.50 g/mol
Exact Mass258.15
IUPAC Name1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane
SMILESCCC1(SSC2(CC)CCCC2)CCCC1
InChIInChI=1S/C14H26S2/c1-3-13(9-5-6-10-13)15-16-14(4-2)11-7-8-12-14/h3-12H2,1-2H3
InChIKeyXTIVMPUDDLCXLP-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.50
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1-methylsulfonylsulfanylcyclohexane
CID 170291362
1-ethylsulfanyl-1-(fluoromethyl)cyclohexane
CID 143105735
1,1-diethylcyclohexane;ethane
CID 142116480
1-ethyl-N-(1-ethylcyclopentyl)cyclopentan-1-amine
CID 22930909
2,2,7,7-tetraethylazepane
CID 141391729
1-(2,2-dimethylpropyl)-1-(ethyldisulfanyl)cyclohexane
CID 138713093
(1-butan-2-ylsulfanylcyclopentyl)methanamine
CID 65137491
4-ethyl-4-methylsulfanylpiperidine
CID 148783582
(2,2-diethyl-1-phosphanylcyclohexyl)phosphane
CID 174700066
1-ethyl-1-methylcyclohexane;molecular hydrogen
CID 143091347
2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
CID 68739353
N-butyl-1-ethylcyclohexan-1-amine
CID 163975014

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane?
The IUPAC name of 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane (CID 87155135) is 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane.
What is the SMILES notation for 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane?
The canonical SMILES for 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane is CCC1(SSC2(CC)CCCC2)CCCC1.
What is the InChIKey of 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane?
The InChIKey is XTIVMPUDDLCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S2/c1-3-13(9-5-6-10-13)15-16-14(4-2)11-7-8-12-14/h3-12H2,1-2H3.
What are the key properties of 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane?
1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane has a molecular weight of 258.50 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane is sourced from PubChem (CID 87155135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).