2-pentoxyethenol

C7H14O2 — CID 173159715

IUPAC2-pentoxyethenol
SMILESCCCCCOC=CO
InChIInChI=1S/C7H14O2/c1-2-3-4-6-9-7-5-8/h5,7-8H,2-4,6H2,1H3
InChIKeyCSPMOABTKVPIIT-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.22
Rot. Bonds5

About 2-pentoxyethenol

2-pentoxyethenol (PubChem CID 173159715) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-pentoxyethenol.

Molecular Properties

Compound Name2-pentoxyethenol
PubChem CID173159715
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-pentoxyethenol
SMILESCCCCCOC=CO
InChIInChI=1S/C7H14O2/c1-2-3-4-6-9-7-5-8/h5,7-8H,2-4,6H2,1H3
InChIKeyCSPMOABTKVPIIT-UHFFFAOYSA-N
XLogP2.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-prop-1-enoxydecane
CID 54116737
1-[(E)-but-1-enoxy]heptane
CID 5366295
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861
3-octadecoxyprop-2-enenitrile
CID 174717457
3-dodecoxyprop-2-enenitrile
CID 174674000
1-hexoxyocta-1,3-diene
CID 149151620
1-(2-methylprop-1-enoxy)heptane
CID 22234809
1-pentoxyprop-1-en-2-ol
CID 173004017
pentyl 4-pentoxybut-3-enoate
CID 174418136
1-butoxynonadec-1-ene
CID 173032007
1-butoxyheptadec-1-ene
CID 173032025
1-[(E)-but-1-enoxy]butane
CID 5364928

Frequently Asked Questions

What is the IUPAC name of 2-pentoxyethenol?
The IUPAC name of 2-pentoxyethenol (CID 173159715) is 2-pentoxyethenol.
What is the SMILES notation for 2-pentoxyethenol?
The canonical SMILES for 2-pentoxyethenol is CCCCCOC=CO.
What is the InChIKey of 2-pentoxyethenol?
The InChIKey is CSPMOABTKVPIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-4-6-9-7-5-8/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-pentoxyethenol?
2-pentoxyethenol has a molecular weight of 130.19 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyethenol is sourced from PubChem (CID 173159715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).