1-butoxypentane;niobium

C9H20NbO — CID 175363169

IUPAC1-butoxypentane;niobium
SMILESCCCCCOCCCC.[Nb]
InChIInChI=1S/C9H20O.Nb/c1-3-5-7-9-10-8-6-4-2;/h3-9H2,1-2H3;
InChIKeyJINDXGWKWUMGKV-UHFFFAOYSA-N
MW237.16 g/mol
LogP2.99
Rot. Bonds7

About 1-butoxypentane;niobium

1-butoxypentane;niobium (PubChem CID 175363169) has the molecular formula C9H20NbO and a molecular weight of 237.16 g/mol. Its IUPAC name is 1-butoxypentane;niobium.

Molecular Properties

Compound Name1-butoxypentane;niobium
PubChem CID175363169
Molecular FormulaC9H20NbO
Molecular Weight237.16 g/mol
Exact Mass237.06
IUPAC Name1-butoxypentane;niobium
SMILESCCCCCOCCCC.[Nb]
InChIInChI=1S/C9H20O.Nb/c1-3-5-7-9-10-8-6-4-2;/h3-9H2,1-2H3;
InChIKeyJINDXGWKWUMGKV-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 52.99
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

1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-butoxydotriacontane
CID 91693232
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735

Frequently Asked Questions

What is the IUPAC name of 1-butoxypentane;niobium?
The IUPAC name of 1-butoxypentane;niobium (CID 175363169) is 1-butoxypentane;niobium.
What is the SMILES notation for 1-butoxypentane;niobium?
The canonical SMILES for 1-butoxypentane;niobium is CCCCCOCCCC.[Nb].
What is the InChIKey of 1-butoxypentane;niobium?
The InChIKey is JINDXGWKWUMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.Nb/c1-3-5-7-9-10-8-6-4-2;/h3-9H2,1-2H3;.
What are the key properties of 1-butoxypentane;niobium?
1-butoxypentane;niobium has a molecular weight of 237.16 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypentane;niobium is sourced from PubChem (CID 175363169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).