trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane

C9H18 — CID 58443772

IUPACtrans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
SMILESCC1C(C)[C@@H](C)C[C@@H]1C
InChIInChI=1S/C9H18/c1-6-5-7(2)9(4)8(6)3/h6-9H,5H2,1-4H3/t6-,7-,8?,9?/m0/s1
InChIKeyINYXDKODFMWKER-MSIFESELSA-N
MW126.24 g/mol
LogP2.93
Rot. Bonds

About trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane

trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane (PubChem CID 58443772) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
PubChem CID58443772
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametrans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
SMILESCC1C(C)[C@@H](C)C[C@@H]1C
InChIInChI=1S/C9H18/c1-6-5-7(2)9(4)8(6)3/h6-9H,5H2,1-4H3/t6-,7-,8?,9?/m0/s1
InChIKeyINYXDKODFMWKER-MSIFESELSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane?
The IUPAC name of trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane (CID 58443772) is trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane.
What is the SMILES notation for trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane?
The canonical SMILES for trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane is CC1C(C)[C@@H](C)C[C@@H]1C.
What is the InChIKey of trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane?
The InChIKey is INYXDKODFMWKER-MSIFESELSA-N. The full InChI is InChI=1S/C9H18/c1-6-5-7(2)9(4)8(6)3/h6-9H,5H2,1-4H3/t6-,7-,8?,9?/m0/s1.
What are the key properties of trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane?
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane is sourced from PubChem (CID 58443772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).