1-propan-2-yloxybutane;zirconium

C7H16OZr — CID 174617524

IUPAC1-propan-2-yloxybutane;zirconium
SMILESCCCCOC(C)C.[Zr]
InChIInChI=1S/C7H16O.Zr/c1-4-5-6-8-7(2)3;/h7H,4-6H2,1-3H3;
InChIKeyDJUOMNCMHDPOAV-UHFFFAOYSA-N
MW207.43 g/mol
LogP2.21
Rot. Bonds4

About 1-propan-2-yloxybutane;zirconium

1-propan-2-yloxybutane;zirconium (PubChem CID 174617524) has the molecular formula C7H16OZr and a molecular weight of 207.43 g/mol. Its IUPAC name is 1-propan-2-yloxybutane;zirconium.

Molecular Properties

Compound Name1-propan-2-yloxybutane;zirconium
PubChem CID174617524
Molecular FormulaC7H16OZr
Molecular Weight207.43 g/mol
Exact Mass206.02
IUPAC Name1-propan-2-yloxybutane;zirconium
SMILESCCCCOC(C)C.[Zr]
InChIInChI=1S/C7H16O.Zr/c1-4-5-6-8-7(2)3;/h7H,4-6H2,1-3H3;
InChIKeyDJUOMNCMHDPOAV-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.43
LogP ≤ 52.21
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

methane;1-propan-2-yloxybutane
CID 158518476
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
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1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1,6-di(propan-2-yloxy)hexane
CID 10899702
1,1,4,4-tetrabutoxybutane
CID 139887225
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-propan-2-yloxybutane
CID 175092585
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
azane;1-propan-2-yloxydodecane;sulfuric acid
CID 175080413
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
2-butoxyhexane;ethane
CID 144590910

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxybutane;zirconium?
The IUPAC name of 1-propan-2-yloxybutane;zirconium (CID 174617524) is 1-propan-2-yloxybutane;zirconium.
What is the SMILES notation for 1-propan-2-yloxybutane;zirconium?
The canonical SMILES for 1-propan-2-yloxybutane;zirconium is CCCCOC(C)C.[Zr].
What is the InChIKey of 1-propan-2-yloxybutane;zirconium?
The InChIKey is DJUOMNCMHDPOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.Zr/c1-4-5-6-8-7(2)3;/h7H,4-6H2,1-3H3;.
What are the key properties of 1-propan-2-yloxybutane;zirconium?
1-propan-2-yloxybutane;zirconium has a molecular weight of 207.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxybutane;zirconium is sourced from PubChem (CID 174617524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).