3-methoxypropylcyclopentane

C9H18O — CID 10964623

IUPAC3-methoxypropylcyclopentane
SMILESCOCCCC1CCCC1
InChIInChI=1S/C9H18O/c1-10-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3
InChIKeyUJFFBFUSPSIOLU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds4

About 3-methoxypropylcyclopentane

3-methoxypropylcyclopentane (PubChem CID 10964623) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methoxypropylcyclopentane.

Molecular Properties

Compound Name3-methoxypropylcyclopentane
PubChem CID10964623
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methoxypropylcyclopentane
SMILESCOCCCC1CCCC1
InChIInChI=1S/C9H18O/c1-10-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3
InChIKeyUJFFBFUSPSIOLU-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropylcyclopentane?
The IUPAC name of 3-methoxypropylcyclopentane (CID 10964623) is 3-methoxypropylcyclopentane.
What is the SMILES notation for 3-methoxypropylcyclopentane?
The canonical SMILES for 3-methoxypropylcyclopentane is COCCCC1CCCC1.
What is the InChIKey of 3-methoxypropylcyclopentane?
The InChIKey is UJFFBFUSPSIOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-10-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3.
What are the key properties of 3-methoxypropylcyclopentane?
3-methoxypropylcyclopentane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropylcyclopentane is sourced from PubChem (CID 10964623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).