cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane

C13H26 — CID 173346335

IUPACcis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
SMILESCCCC(C)[C@@H]1CCCC[C@H]1CC
InChIInChI=1S/C13H26/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h11-13H,4-10H2,1-3H3/t11?,12-,13+/m1/s1
InChIKeyCTSZPSUXUUZOJC-HDYSRYHKSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds4

About cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane

cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane (PubChem CID 173346335) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
PubChem CID173346335
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Namecis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
SMILESCCCC(C)[C@@H]1CCCC[C@H]1CC
InChIInChI=1S/C13H26/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h11-13H,4-10H2,1-3H3/t11?,12-,13+/m1/s1
InChIKeyCTSZPSUXUUZOJC-HDYSRYHKSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane?
The IUPAC name of cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane (CID 173346335) is cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane.
What is the SMILES notation for cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane?
The canonical SMILES for cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane is CCCC(C)[C@@H]1CCCC[C@H]1CC.
What is the InChIKey of cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane?
The InChIKey is CTSZPSUXUUZOJC-HDYSRYHKSA-N. The full InChI is InChI=1S/C13H26/c1-4-8-11(3)13-10-7-6-9-12(13)5-2/h11-13H,4-10H2,1-3H3/t11?,12-,13+/m1/s1.
What are the key properties of cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane?
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane is sourced from PubChem (CID 173346335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).