trans-(1S,3S)-1,2,3-trimethylcyclopentane

C8H16 — CID 6432144

IUPACtrans-(1S,3S)-1,2,3-trimethylcyclopentane
SMILESCC1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C8H16/c1-6-4-5-7(2)8(6)3/h6-8H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyVCWNHOPGKQCXIQ-BQBZGAKWSA-N
MW112.22 g/mol
LogP2.69
Rot. Bonds

About trans-(1S,3S)-1,2,3-trimethylcyclopentane

trans-(1S,3S)-1,2,3-trimethylcyclopentane (PubChem CID 6432144) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is trans-(1S,3S)-1,2,3-trimethylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,3S)-1,2,3-trimethylcyclopentane
PubChem CID6432144
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nametrans-(1S,3S)-1,2,3-trimethylcyclopentane
SMILESCC1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C8H16/c1-6-4-5-7(2)8(6)3/h6-8H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyVCWNHOPGKQCXIQ-BQBZGAKWSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1,2,3-trimethylcyclopentane?
The IUPAC name of trans-(1S,3S)-1,2,3-trimethylcyclopentane (CID 6432144) is trans-(1S,3S)-1,2,3-trimethylcyclopentane.
What is the SMILES notation for trans-(1S,3S)-1,2,3-trimethylcyclopentane?
The canonical SMILES for trans-(1S,3S)-1,2,3-trimethylcyclopentane is CC1[C@@H](C)CC[C@@H]1C.
What is the InChIKey of trans-(1S,3S)-1,2,3-trimethylcyclopentane?
The InChIKey is VCWNHOPGKQCXIQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16/c1-6-4-5-7(2)8(6)3/h6-8H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3S)-1,2,3-trimethylcyclopentane?
trans-(1S,3S)-1,2,3-trimethylcyclopentane has a molecular weight of 112.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1,2,3-trimethylcyclopentane is sourced from PubChem (CID 6432144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).