1-prop-2-enoxypentane;zirconium

C8H16OZr — CID 175164581

IUPAC1-prop-2-enoxypentane;zirconium
SMILESC=CCOCCCCC.[Zr]
InChIInChI=1S/C8H16O.Zr/c1-3-5-6-8-9-7-4-2;/h4H,2-3,5-8H2,1H3;
InChIKeyGIBALXBGYKTMOQ-UHFFFAOYSA-N
MW219.44 g/mol
LogP2.38
Rot. Bonds6

About 1-prop-2-enoxypentane;zirconium

1-prop-2-enoxypentane;zirconium (PubChem CID 175164581) has the molecular formula C8H16OZr and a molecular weight of 219.44 g/mol. Its IUPAC name is 1-prop-2-enoxypentane;zirconium.

Molecular Properties

Compound Name1-prop-2-enoxypentane;zirconium
PubChem CID175164581
Molecular FormulaC8H16OZr
Molecular Weight219.44 g/mol
Exact Mass218.02
IUPAC Name1-prop-2-enoxypentane;zirconium
SMILESC=CCOCCCCC.[Zr]
InChIInChI=1S/C8H16O.Zr/c1-3-5-6-8-9-7-4-2;/h4H,2-3,5-8H2,1H3;
InChIKeyGIBALXBGYKTMOQ-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
oxirene;1-prop-2-enoxypentane
CID 175269271
formic acid;1-prop-2-enoxypentane
CID 174234349
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
buta-1,3-diene;1-pentoxypentane
CID 87924219
3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
azane;1-prop-2-enoxypropane
CID 87450499
methane;1-prop-2-enoxypropane
CID 157267338
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypentane;zirconium?
The IUPAC name of 1-prop-2-enoxypentane;zirconium (CID 175164581) is 1-prop-2-enoxypentane;zirconium.
What is the SMILES notation for 1-prop-2-enoxypentane;zirconium?
The canonical SMILES for 1-prop-2-enoxypentane;zirconium is C=CCOCCCCC.[Zr].
What is the InChIKey of 1-prop-2-enoxypentane;zirconium?
The InChIKey is GIBALXBGYKTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.Zr/c1-3-5-6-8-9-7-4-2;/h4H,2-3,5-8H2,1H3;.
What are the key properties of 1-prop-2-enoxypentane;zirconium?
1-prop-2-enoxypentane;zirconium has a molecular weight of 219.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypentane;zirconium is sourced from PubChem (CID 175164581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).