trans-(1S,3S)-1-methyl-3-propylcyclopentane

C9H18 — CID 20837636

IUPACtrans-(1S,3S)-1-methyl-3-propylcyclopentane
SMILESCCC[C@H]1CC[C@H](C)C1
InChIInChI=1S/C9H18/c1-3-4-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyHRSBIYASWAILIF-IUCAKERBSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds2

About trans-(1S,3S)-1-methyl-3-propylcyclopentane

trans-(1S,3S)-1-methyl-3-propylcyclopentane (PubChem CID 20837636) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is trans-(1S,3S)-1-methyl-3-propylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-methyl-3-propylcyclopentane
PubChem CID20837636
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametrans-(1S,3S)-1-methyl-3-propylcyclopentane
SMILESCCC[C@H]1CC[C@H](C)C1
InChIInChI=1S/C9H18/c1-3-4-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyHRSBIYASWAILIF-IUCAKERBSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
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-methyl-3-propylcyclopentane?
The IUPAC name of trans-(1S,3S)-1-methyl-3-propylcyclopentane (CID 20837636) is trans-(1S,3S)-1-methyl-3-propylcyclopentane.
What is the SMILES notation for trans-(1S,3S)-1-methyl-3-propylcyclopentane?
The canonical SMILES for trans-(1S,3S)-1-methyl-3-propylcyclopentane is CCC[C@H]1CC[C@H](C)C1.
What is the InChIKey of trans-(1S,3S)-1-methyl-3-propylcyclopentane?
The InChIKey is HRSBIYASWAILIF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18/c1-3-4-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-1-methyl-3-propylcyclopentane?
trans-(1S,3S)-1-methyl-3-propylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-methyl-3-propylcyclopentane is sourced from PubChem (CID 20837636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).