2-pentyloxane

C10H20O — CID 12596605

IUPAC2-pentyloxane
SMILESCCCCCC1CCCCO1
InChIInChI=1S/C10H20O/c1-2-3-4-7-10-8-5-6-9-11-10/h10H,2-9H2,1H3
InChIKeyRCPFNDAGQQRGFY-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.14
Rot. Bonds4

About 2-pentyloxane

2-pentyloxane (PubChem CID 12596605) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-pentyloxane.

Molecular Properties

Compound Name2-pentyloxane
PubChem CID12596605
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-pentyloxane
SMILESCCCCCC1CCCCO1
InChIInChI=1S/C10H20O/c1-2-3-4-7-10-8-5-6-9-11-10/h10H,2-9H2,1H3
InChIKeyRCPFNDAGQQRGFY-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.14
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-Butyltetrahydrofuran
CID 13861
Furan, 2-heptyltetrahydro-
CID 102816
Cyclododecane, methoxy-
CID 76334
Furan, tetrahydro-2-octyl-
CID 110735
1-Ethoxyoctane
CID 94664
1-Ethoxydodecane
CID 96386
Decyl ethyl ether
CID 109644
Cyclododecane, propoxy-
CID 105765
2-Methyl-3-pentyloxirane
CID 102957
1-Ethoxynonane
CID 12714344
1-Propoxynonane
CID 111750
2-Propyltetrahydropyran
CID 138066

Frequently Asked Questions

What is the IUPAC name of 2-pentyloxane?
The IUPAC name of 2-pentyloxane (CID 12596605) is 2-pentyloxane.
What is the SMILES notation for 2-pentyloxane?
The canonical SMILES for 2-pentyloxane is CCCCCC1CCCCO1.
What is the InChIKey of 2-pentyloxane?
The InChIKey is RCPFNDAGQQRGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-2-3-4-7-10-8-5-6-9-11-10/h10H,2-9H2,1H3.
What are the key properties of 2-pentyloxane?
2-pentyloxane has a molecular weight of 156.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyloxane is sourced from PubChem (CID 12596605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).