barium(2+);hydride;4-nonylphenol

C15H26BaO — CID 173156845

IUPACbarium(2+);hydride;4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)cc1.[Ba+2].[H-].[H-]
InChIInChI=1S/C15H24O.Ba.2H/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;;;/h10-13,16H,2-9H2,1H3;;;/q;+2;2*-1
InChIKeyHWKLNWZMBBVHDW-UHFFFAOYSA-N
MW359.70 g/mol
LogP4.53
Rot. Bonds8

About barium(2+);hydride;4-nonylphenol

barium(2+);hydride;4-nonylphenol (PubChem CID 173156845) has the molecular formula C15H26BaO and a molecular weight of 359.70 g/mol. Its IUPAC name is barium(2+);hydride;4-nonylphenol.

Molecular Properties

Compound Namebarium(2+);hydride;4-nonylphenol
PubChem CID173156845
Molecular FormulaC15H26BaO
Molecular Weight359.70 g/mol
Exact Mass360.10
IUPAC Namebarium(2+);hydride;4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)cc1.[Ba+2].[H-].[H-]
InChIInChI=1S/C15H24O.Ba.2H/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;;;/h10-13,16H,2-9H2,1H3;;;/q;+2;2*-1
InChIKeyHWKLNWZMBBVHDW-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;4-tetradecylphenol
CID 174582359
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CID 174796411
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
methanolate;nickel(3+);4-octylphenol
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lithium;4-butylphenol;hydride
CID 174758234
tris(4-nonylphenol);phosphoric acid
CID 71361187
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;4-nonylphenol?
The IUPAC name of barium(2+);hydride;4-nonylphenol (CID 173156845) is barium(2+);hydride;4-nonylphenol.
What is the SMILES notation for barium(2+);hydride;4-nonylphenol?
The canonical SMILES for barium(2+);hydride;4-nonylphenol is CCCCCCCCCc1ccc(O)cc1.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;4-nonylphenol?
The InChIKey is HWKLNWZMBBVHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.Ba.2H/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;;;/h10-13,16H,2-9H2,1H3;;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;4-nonylphenol?
barium(2+);hydride;4-nonylphenol has a molecular weight of 359.70 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;4-nonylphenol is sourced from PubChem (CID 173156845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).