carbanide;methanol;propylcyclopentane;zirconium(2+)

C11H26O2Zr — CID 140876709

IUPACcarbanide;methanol;propylcyclopentane;zirconium(2+)
SMILESCO.CO.[CH2-]CCC1CCCC1.[CH3-].[Zr+2]
InChIInChI=1S/C8H15.2CH4O.CH3.Zr/c1-2-5-8-6-3-4-7-8;2*1-2;;/h8H,1-7H2;2*2H,1H3;1H3;/q-1;;;-1;+2
InChIKeyQFZBXIUNPFUHNS-UHFFFAOYSA-N
MW281.55 g/mol
LogP2.46
Rot. Bonds2

About carbanide;methanol;propylcyclopentane;zirconium(2+)

carbanide;methanol;propylcyclopentane;zirconium(2+) (PubChem CID 140876709) has the molecular formula C11H26O2Zr and a molecular weight of 281.55 g/mol. Its IUPAC name is carbanide;methanol;propylcyclopentane;zirconium(2+).

Molecular Properties

Compound Namecarbanide;methanol;propylcyclopentane;zirconium(2+)
PubChem CID140876709
Molecular FormulaC11H26O2Zr
Molecular Weight281.55 g/mol
Exact Mass280.10
IUPAC Namecarbanide;methanol;propylcyclopentane;zirconium(2+)
SMILESCO.CO.[CH2-]CCC1CCCC1.[CH3-].[Zr+2]
InChIInChI=1S/C8H15.2CH4O.CH3.Zr/c1-2-5-8-6-3-4-7-8;2*1-2;;/h8H,1-7H2;2*2H,1H3;1H3;/q-1;;;-1;+2
InChIKeyQFZBXIUNPFUHNS-UHFFFAOYSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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octylcyclotetradecane
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2-cyclopentylethyl-dihydroxy-methylsilane
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tetradecylcyclododecane
CID 169026037
ethene;pentylcyclopentane
CID 145442606
4-cyclopentylbutylcyclohexane
CID 144547696
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CID 57270632
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclohexylmethanamine;methanol
CID 70430105

Frequently Asked Questions

What is the IUPAC name of carbanide;methanol;propylcyclopentane;zirconium(2+)?
The IUPAC name of carbanide;methanol;propylcyclopentane;zirconium(2+) (CID 140876709) is carbanide;methanol;propylcyclopentane;zirconium(2+).
What is the SMILES notation for carbanide;methanol;propylcyclopentane;zirconium(2+)?
The canonical SMILES for carbanide;methanol;propylcyclopentane;zirconium(2+) is CO.CO.[CH2-]CCC1CCCC1.[CH3-].[Zr+2].
What is the InChIKey of carbanide;methanol;propylcyclopentane;zirconium(2+)?
The InChIKey is QFZBXIUNPFUHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.2CH4O.CH3.Zr/c1-2-5-8-6-3-4-7-8;2*1-2;;/h8H,1-7H2;2*2H,1H3;1H3;/q-1;;;-1;+2.
What are the key properties of carbanide;methanol;propylcyclopentane;zirconium(2+)?
carbanide;methanol;propylcyclopentane;zirconium(2+) has a molecular weight of 281.55 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanol;propylcyclopentane;zirconium(2+) is sourced from PubChem (CID 140876709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).