cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane

C9H18 — CID 58619855

IUPACcis-(2S,5R)-1,1,2,5-tetramethylcyclopentane
SMILESC[C@@H]1CC[C@H](C)C1(C)C
InChIInChI=1S/C9H18/c1-7-5-6-8(2)9(7,3)4/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyDHLYDHNCPUAVHP-OCAPTIKFSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds

About cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane

cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane (PubChem CID 58619855) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane.

Molecular Properties

Compound Namecis-(2S,5R)-1,1,2,5-tetramethylcyclopentane
PubChem CID58619855
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(2S,5R)-1,1,2,5-tetramethylcyclopentane
SMILESC[C@@H]1CC[C@H](C)C1(C)C
InChIInChI=1S/C9H18/c1-7-5-6-8(2)9(7,3)4/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyDHLYDHNCPUAVHP-OCAPTIKFSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane?
The IUPAC name of cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane (CID 58619855) is cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane.
What is the SMILES notation for cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane?
The canonical SMILES for cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane is C[C@@H]1CC[C@H](C)C1(C)C.
What is the InChIKey of cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane?
The InChIKey is DHLYDHNCPUAVHP-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H18/c1-7-5-6-8(2)9(7,3)4/h7-8H,5-6H2,1-4H3/t7-,8+.
What are the key properties of cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane?
cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5R)-1,1,2,5-tetramethylcyclopentane is sourced from PubChem (CID 58619855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).