(7-ethylsulfanyl-6-methylheptyl)cyclopentane

C15H30S — CID 170850385

IUPAC(7-ethylsulfanyl-6-methylheptyl)cyclopentane
SMILESCCSCC(C)CCCCCC1CCCC1
InChIInChI=1S/C15H30S/c1-3-16-13-14(2)9-5-4-6-10-15-11-7-8-12-15/h14-15H,3-13H2,1-2H3
InChIKeyYMCJHGXBPNKPSV-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.52
Rot. Bonds9

About (7-ethylsulfanyl-6-methylheptyl)cyclopentane

(7-ethylsulfanyl-6-methylheptyl)cyclopentane (PubChem CID 170850385) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is (7-ethylsulfanyl-6-methylheptyl)cyclopentane.

Molecular Properties

Compound Name(7-ethylsulfanyl-6-methylheptyl)cyclopentane
PubChem CID170850385
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name(7-ethylsulfanyl-6-methylheptyl)cyclopentane
SMILESCCSCC(C)CCCCCC1CCCC1
InChIInChI=1S/C15H30S/c1-3-16-13-14(2)9-5-4-6-10-15-11-7-8-12-15/h14-15H,3-13H2,1-2H3
InChIKeyYMCJHGXBPNKPSV-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-ethylsulfanyl-6-methylheptyl)cyclopentane?
The IUPAC name of (7-ethylsulfanyl-6-methylheptyl)cyclopentane (CID 170850385) is (7-ethylsulfanyl-6-methylheptyl)cyclopentane.
What is the SMILES notation for (7-ethylsulfanyl-6-methylheptyl)cyclopentane?
The canonical SMILES for (7-ethylsulfanyl-6-methylheptyl)cyclopentane is CCSCC(C)CCCCCC1CCCC1.
What is the InChIKey of (7-ethylsulfanyl-6-methylheptyl)cyclopentane?
The InChIKey is YMCJHGXBPNKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-3-16-13-14(2)9-5-4-6-10-15-11-7-8-12-15/h14-15H,3-13H2,1-2H3.
What are the key properties of (7-ethylsulfanyl-6-methylheptyl)cyclopentane?
(7-ethylsulfanyl-6-methylheptyl)cyclopentane has a molecular weight of 242.47 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethylsulfanyl-6-methylheptyl)cyclopentane is sourced from PubChem (CID 170850385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).