2-pentyloxolane

C9H18O — CID 12727545

IUPAC2-pentyloxolane
SMILESCCCCCC1CCCO1
InChIInChI=1S/C9H18O/c1-2-3-4-6-9-7-5-8-10-9/h9H,2-8H2,1H3
InChIKeyNXRHOUOTCHJHDB-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds4

About 2-pentyloxolane

2-pentyloxolane (PubChem CID 12727545) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-pentyloxolane.

Molecular Properties

Compound Name2-pentyloxolane
PubChem CID12727545
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-pentyloxolane
SMILESCCCCCC1CCCO1
InChIInChI=1S/C9H18O/c1-2-3-4-6-9-7-5-8-10-9/h9H,2-8H2,1H3
InChIKeyNXRHOUOTCHJHDB-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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Related Compounds

2,5-Diethyltetrahydrofuran
CID 62913
2-Butyltetrahydrofuran
CID 13861
Cyclododecane, methoxy-
CID 76334
Furan, 2-heptyltetrahydro-
CID 102816
Furan, tetrahydro-2-octyl-
CID 110735
1-Ethoxyoctane
CID 94664
1-Ethoxydodecane
CID 96386
Decyl ethyl ether
CID 109644
Cyclododecane, propoxy-
CID 105765
Hexyl octyl ether
CID 519362
2-Methyl-3-pentyloxirane
CID 102957
1-Ethoxynonane
CID 12714344

Frequently Asked Questions

What is the IUPAC name of 2-pentyloxolane?
The IUPAC name of 2-pentyloxolane (CID 12727545) is 2-pentyloxolane.
What is the SMILES notation for 2-pentyloxolane?
The canonical SMILES for 2-pentyloxolane is CCCCCC1CCCO1.
What is the InChIKey of 2-pentyloxolane?
The InChIKey is NXRHOUOTCHJHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-2-3-4-6-9-7-5-8-10-9/h9H,2-8H2,1H3.
What are the key properties of 2-pentyloxolane?
2-pentyloxolane 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 2-pentyloxolane is sourced from PubChem (CID 12727545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).