butoxycyclopentane

C9H18O — CID 18622369

IUPACbutoxycyclopentane
SMILESCCCCOC1CCCC1
InChIInChI=1S/C9H18O/c1-2-3-8-10-9-6-4-5-7-9/h9H,2-8H2,1H3
InChIKeyLALHWYBLLSTBLQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds4

About butoxycyclopentane

butoxycyclopentane (PubChem CID 18622369) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is butoxycyclopentane.

Molecular Properties

Compound Namebutoxycyclopentane
PubChem CID18622369
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namebutoxycyclopentane
SMILESCCCCOC1CCCC1
InChIInChI=1S/C9H18O/c1-2-3-8-10-9-6-4-5-7-9/h9H,2-8H2,1H3
InChIKeyLALHWYBLLSTBLQ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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 butoxycyclopentane?
The IUPAC name of butoxycyclopentane (CID 18622369) is butoxycyclopentane.
What is the SMILES notation for butoxycyclopentane?
The canonical SMILES for butoxycyclopentane is CCCCOC1CCCC1.
What is the InChIKey of butoxycyclopentane?
The InChIKey is LALHWYBLLSTBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-2-3-8-10-9-6-4-5-7-9/h9H,2-8H2,1H3.
What are the key properties of butoxycyclopentane?
butoxycyclopentane has a molecular weight of 142.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxycyclopentane is sourced from PubChem (CID 18622369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).