1-pentoxypentane

C10H22O — CID 12743

IUPAC1-pentoxypentane
SMILESCCCCCOCCCCC
InChIInChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyAOPDRZXCEAKHHW-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds8

About 1-pentoxypentane

1-pentoxypentane (PubChem CID 12743) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 1-pentoxypentane.

Molecular Properties

Compound Name1-pentoxypentane
PubChem CID12743
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name1-pentoxypentane
SMILESCCCCCOCCCCC
InChIInChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyAOPDRZXCEAKHHW-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
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

Butyl ether
CID 8909
Ether, methyl pentyl
CID 69412
Ethyl hexyl ether
CID 111843
Dihexyl ether
CID 8198
Amyl ethyl ether
CID 87370
Hexane, 1-(pentyloxy)-
CID 36108
Butyl hexyl ether
CID 108598
Butylpentyl ether
CID 29161
1-Propoxyhexane
CID 111844
1-Propoxybutane
CID 137814
Isopropyl pentyl ether
CID 138582
Pentyl propyl ether
CID 140408

Frequently Asked Questions

What is the IUPAC name of 1-pentoxypentane?
The IUPAC name of 1-pentoxypentane (CID 12743) is 1-pentoxypentane.
What is the SMILES notation for 1-pentoxypentane?
The canonical SMILES for 1-pentoxypentane is CCCCCOCCCCC.
What is the InChIKey of 1-pentoxypentane?
The InChIKey is AOPDRZXCEAKHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-pentoxypentane?
1-pentoxypentane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypentane is sourced from PubChem (CID 12743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).