cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane

C9H18 — CID 6432537

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

About cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane

cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane (PubChem CID 6432537) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane.

Molecular Properties

Compound Namecis-(3R,4S)-1,1,3,4-tetramethylcyclopentane
PubChem CID6432537
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(3R,4S)-1,1,3,4-tetramethylcyclopentane
SMILESC[C@@H]1CC(C)(C)C[C@@H]1C
InChIInChI=1S/C9H18/c1-7-5-9(3,4)6-8(7)2/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeyOWHFMVURUNNXMJ-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-(3R,4S)-1,1,3,4-tetramethylcyclopentane?
The IUPAC name of cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane (CID 6432537) is cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane.
What is the SMILES notation for cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane?
The canonical SMILES for cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane is C[C@@H]1CC(C)(C)C[C@@H]1C.
What is the InChIKey of cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane?
The InChIKey is OWHFMVURUNNXMJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H18/c1-7-5-9(3,4)6-8(7)2/h7-8H,5-6H2,1-4H3/t7-,8+.
What are the key properties of cis-(3R,4S)-1,1,3,4-tetramethylcyclopentane?
cis-(3R,4S)-1,1,3,4-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-(3R,4S)-1,1,3,4-tetramethylcyclopentane is sourced from PubChem (CID 6432537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).