(2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane

C14H26 — CID 163549218

IUPAC(2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane
SMILESC=C[C@H]1C(C)C(CC)C(CC)C1(C)C
InChIInChI=1S/C14H26/c1-7-11-10(4)12(8-2)14(5,6)13(11)9-3/h8,10-13H,2,7,9H2,1,3-6H3/t10?,11?,12-,13?/m0/s1
InChIKeyFHPTZVKXMSFLRM-ARAJFMJPSA-N
MW194.36 g/mol
LogP4.52
Rot. Bonds3

About (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane

(2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane (PubChem CID 163549218) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane.

Molecular Properties

Compound Name(2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane
PubChem CID163549218
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane
SMILESC=C[C@H]1C(C)C(CC)C(CC)C1(C)C
InChIInChI=1S/C14H26/c1-7-11-10(4)12(8-2)14(5,6)13(11)9-3/h8,10-13H,2,7,9H2,1,3-6H3/t10?,11?,12-,13?/m0/s1
InChIKeyFHPTZVKXMSFLRM-ARAJFMJPSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane?
The IUPAC name of (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane (CID 163549218) is (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane.
What is the SMILES notation for (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane?
The canonical SMILES for (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane is C=C[C@H]1C(C)C(CC)C(CC)C1(C)C.
What is the InChIKey of (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane?
The InChIKey is FHPTZVKXMSFLRM-ARAJFMJPSA-N. The full InChI is InChI=1S/C14H26/c1-7-11-10(4)12(8-2)14(5,6)13(11)9-3/h8,10-13H,2,7,9H2,1,3-6H3/t10?,11?,12-,13?/m0/s1.
What are the key properties of (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane?
(2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane has a molecular weight of 194.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane is sourced from PubChem (CID 163549218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).