trans-(1S,3S)-1,3-dimethylcyclopentane

C7H14 — CID 13119649

IUPACtrans-(1S,3S)-1,3-dimethylcyclopentane
SMILESC[C@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyXAZKFISIRYLAEE-BQBZGAKWSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds

About trans-(1S,3S)-1,3-dimethylcyclopentane

trans-(1S,3S)-1,3-dimethylcyclopentane (PubChem CID 13119649) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is trans-(1S,3S)-1,3-dimethylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,3S)-1,3-dimethylcyclopentane
PubChem CID13119649
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Nametrans-(1S,3S)-1,3-dimethylcyclopentane
SMILESC[C@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyXAZKFISIRYLAEE-BQBZGAKWSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1,3-dimethylcyclopentane?
The IUPAC name of trans-(1S,3S)-1,3-dimethylcyclopentane (CID 13119649) is trans-(1S,3S)-1,3-dimethylcyclopentane.
What is the SMILES notation for trans-(1S,3S)-1,3-dimethylcyclopentane?
The canonical SMILES for trans-(1S,3S)-1,3-dimethylcyclopentane is C[C@H]1CC[C@H](C)C1.
What is the InChIKey of trans-(1S,3S)-1,3-dimethylcyclopentane?
The InChIKey is XAZKFISIRYLAEE-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3S)-1,3-dimethylcyclopentane?
trans-(1S,3S)-1,3-dimethylcyclopentane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1,3-dimethylcyclopentane is sourced from PubChem (CID 13119649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).