trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane

C9H18 — CID 6427704

IUPACtrans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
SMILESC[C@H]1C[C@H](C)C(C)(C)C1
InChIInChI=1S/C9H18/c1-7-5-8(2)9(3,4)6-7/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyAVBGIJNNMIBMQG-YUMQZZPRSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds

About trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane

trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane (PubChem CID 6427704) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane.

Molecular Properties

Compound Nametrans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
PubChem CID6427704
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametrans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
SMILESC[C@H]1C[C@H](C)C(C)(C)C1
InChIInChI=1S/C9H18/c1-7-5-8(2)9(3,4)6-7/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyAVBGIJNNMIBMQG-YUMQZZPRSA-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

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,1,2,7-tetramethylcyclooctane
CID 141451493
cis-(2R,4S)-1,1,2,4-tetramethylcyclohexane;ethene
CID 177145950
1,1,2,8-tetramethylcyclononane
CID 123968014
1,1,2-trifluoro-2,3,5-trimethylcyclohexane
CID 161062506
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
N-(3,3,4-trimethylcyclopentyl)cyclohexanamine
CID 170208159
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane
CID 91282167
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61222833
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158

Frequently Asked Questions

What is the IUPAC name of trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane?
The IUPAC name of trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane (CID 6427704) is trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane.
What is the SMILES notation for trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane?
The canonical SMILES for trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane is C[C@H]1C[C@H](C)C(C)(C)C1.
What is the InChIKey of trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane?
The InChIKey is AVBGIJNNMIBMQG-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18/c1-7-5-8(2)9(3,4)6-7/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane?
trans-(2S,4S)-1,1,2,4-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 trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane is sourced from PubChem (CID 6427704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).