benzene;cyclopenta-1,3-diene;pentane;vanadium

C16H21V-3 — CID 173225730

IUPACbenzene;cyclopenta-1,3-diene;pentane;vanadium
SMILES[C-]1=CC=CC1.[CH2-]CCCC.[V].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H5.C5H11.V/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-5-4-2;/h1-5H;1-3H,4H2;1,3-5H2,2H3;/q3*-1;
InChIKeyBIFAQYFEZQXGBU-UHFFFAOYSA-N
MW264.29 g/mol
LogP4.80
Rot. Bonds2

About benzene;cyclopenta-1,3-diene;pentane;vanadium

benzene;cyclopenta-1,3-diene;pentane;vanadium (PubChem CID 173225730) has the molecular formula C16H21V-3 and a molecular weight of 264.29 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;pentane;vanadium.

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;pentane;vanadium
PubChem CID173225730
Molecular FormulaC16H21V-3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Namebenzene;cyclopenta-1,3-diene;pentane;vanadium
SMILES[C-]1=CC=CC1.[CH2-]CCCC.[V].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H5.C5H11.V/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-5-4-2;/h1-5H;1-3H,4H2;1,3-5H2,2H3;/q3*-1;
InChIKeyBIFAQYFEZQXGBU-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;cyclopenta-1,3-diene;titanium(3+)
CID 173200897
benzene;cyclopenta-1,3-diene;zirconium(2+)
CID 174248756
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CID 19900891
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
butane;cyclopenta-1,3-diene;zirconium(2+);dichloride
CID 87301075
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CID 173097750
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CID 174258600
bis(cyclopenta-1,3-diene);propane;titanium(4+)
CID 21256119
cyclopenta-1,3-diene;platinum;propane
CID 175387408
magnesium;cyclopenta-1,3-diene;propane
CID 140515591
butane;bis(cyclopenta-1,3-diene);2-methylpropane;bis(zirconium(2+));hexahydrochloride
CID 175602959
carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
CID 173323257

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;pentane;vanadium?
The IUPAC name of benzene;cyclopenta-1,3-diene;pentane;vanadium (CID 173225730) is benzene;cyclopenta-1,3-diene;pentane;vanadium.
What is the SMILES notation for benzene;cyclopenta-1,3-diene;pentane;vanadium?
The canonical SMILES for benzene;cyclopenta-1,3-diene;pentane;vanadium is [C-]1=CC=CC1.[CH2-]CCCC.[V].[c-]1ccccc1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;pentane;vanadium?
The InChIKey is BIFAQYFEZQXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H5.C5H11.V/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-5-4-2;/h1-5H;1-3H,4H2;1,3-5H2,2H3;/q3*-1;.
What are the key properties of benzene;cyclopenta-1,3-diene;pentane;vanadium?
benzene;cyclopenta-1,3-diene;pentane;vanadium has a molecular weight of 264.29 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;pentane;vanadium is sourced from PubChem (CID 173225730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).