formic acid;1-prop-2-enoxypentane

C9H18O3 — CID 174234349

IUPACformic acid;1-prop-2-enoxypentane
SMILESC=CCOCCCCC.O=CO
InChIInChI=1S/C8H16O.CH2O2/c1-3-5-6-8-9-7-4-2;2-1-3/h4H,2-3,5-8H2,1H3;1H,(H,2,3)
InChIKeyOVNQJWMEIJXFTO-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.08
Rot. Bonds6

About formic acid;1-prop-2-enoxypentane

formic acid;1-prop-2-enoxypentane (PubChem CID 174234349) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is formic acid;1-prop-2-enoxypentane.

Molecular Properties

Compound Nameformic acid;1-prop-2-enoxypentane
PubChem CID174234349
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameformic acid;1-prop-2-enoxypentane
SMILESC=CCOCCCCC.O=CO
InChIInChI=1S/C8H16O.CH2O2/c1-3-5-6-8-9-7-4-2;2-1-3/h4H,2-3,5-8H2,1H3;1H,(H,2,3)
InChIKeyOVNQJWMEIJXFTO-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enoxypentane;zirconium
CID 175164581
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
oxirene;1-prop-2-enoxypentane
CID 175269271
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
buta-1,3-diene;1-pentoxypentane
CID 87924219
1-dodecoxydodecane;prop-2-enyl hydrogen sulfate;sulfuric acid
CID 174806499
3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
methane;1-prop-2-enoxypropane
CID 157267338
azane;1-prop-2-enoxypropane
CID 87450499
dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231

Frequently Asked Questions

What is the IUPAC name of formic acid;1-prop-2-enoxypentane?
The IUPAC name of formic acid;1-prop-2-enoxypentane (CID 174234349) is formic acid;1-prop-2-enoxypentane.
What is the SMILES notation for formic acid;1-prop-2-enoxypentane?
The canonical SMILES for formic acid;1-prop-2-enoxypentane is C=CCOCCCCC.O=CO.
What is the InChIKey of formic acid;1-prop-2-enoxypentane?
The InChIKey is OVNQJWMEIJXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.CH2O2/c1-3-5-6-8-9-7-4-2;2-1-3/h4H,2-3,5-8H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;1-prop-2-enoxypentane?
formic acid;1-prop-2-enoxypentane has a molecular weight of 174.24 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-prop-2-enoxypentane is sourced from PubChem (CID 174234349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).