cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane

C9H18 — CID 6431527

IUPACcis-(2S,3R)-1,1,2,3-tetramethylcyclopentane
SMILESC[C@@H]1CCC(C)(C)[C@H]1C
InChIInChI=1S/C9H18/c1-7-5-6-9(3,4)8(7)2/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyCXCBKSYSKZEEJB-SFYZADRCSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds

About cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane

cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane (PubChem CID 6431527) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane.

Molecular Properties

Compound Namecis-(2S,3R)-1,1,2,3-tetramethylcyclopentane
PubChem CID6431527
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(2S,3R)-1,1,2,3-tetramethylcyclopentane
SMILESC[C@@H]1CCC(C)(C)[C@H]1C
InChIInChI=1S/C9H18/c1-7-5-6-9(3,4)8(7)2/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyCXCBKSYSKZEEJB-SFYZADRCSA-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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Related Compounds

1,1,3-Trimethylcyclopentane
CID 20615
(1alpha,2alpha,4beta)-1,2,4-Trimethylcyclopentane
CID 17779
Cyclopentane, 1-ethyl-3-methyl-, cis-
CID 19502
1,2,3-Trimethylcyclopentane
CID 35368
2-Ethyl-1,1-dimethylcyclopentane
CID 41123
cis-1,1,3,4-Tetramethylcyclopentane
CID 6432537
Cyclopentane, 1,2,3-trimethyl-, (1alpha,2alpha,3beta)-
CID 6432144
Cyclopentane, 1-butyl-2-propyl-
CID 112469
1,2-Dimethyl-3-(1-methylethyl)cyclopentane
CID 544190
2,2,3,3,5,6,6-Heptamethylheptane
CID 23652
Isopropylcyclopentane
CID 19751
1,1,2-Trimethylcyclopentane
CID 35367

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane?
The IUPAC name of cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane (CID 6431527) is cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane.
What is the SMILES notation for cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane?
The canonical SMILES for cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane is C[C@@H]1CCC(C)(C)[C@H]1C.
What is the InChIKey of cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane?
The InChIKey is CXCBKSYSKZEEJB-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18/c1-7-5-6-9(3,4)8(7)2/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of cis-(2S,3R)-1,1,2,3-tetramethylcyclopentane?
cis-(2S,3R)-1,1,2,3-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,3R)-1,1,2,3-tetramethylcyclopentane is sourced from PubChem (CID 6431527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).