phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene

C14H25O5P — CID 156565005

IUPACphosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene
SMILESCC(C)(C)CC(C)(C)Oc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C14H22O.H3O4P/c1-13(2,3)11-14(4,5)15-12-9-7-6-8-10-12;1-5(2,3)4/h6-10H,11H2,1-5H3;(H3,1,2,3,4)
InChIKeyBQSBVTJPXPXGQZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.35
Rot. Bonds3

About phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene

phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene (PubChem CID 156565005) has the molecular formula C14H25O5P and a molecular weight of 304.32 g/mol. Its IUPAC name is phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene.

Molecular Properties

Compound Namephosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene
PubChem CID156565005
Molecular FormulaC14H25O5P
Molecular Weight304.32 g/mol
Exact Mass304.14
IUPAC Namephosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene
SMILESCC(C)(C)CC(C)(C)Oc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C14H22O.H3O4P/c1-13(2,3)11-14(4,5)15-12-9-7-6-8-10-12;1-5(2,3)4/h6-10H,11H2,1-5H3;(H3,1,2,3,4)
InChIKeyBQSBVTJPXPXGQZ-UHFFFAOYSA-N
XLogP3.35
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2,4,4-trimethylpentan-2-yl hydrogen phosphate
CID 20505103
2,4-dimethyl-4-phenoxypentan-2-amine
CID 91544651
3-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 70403468
3-methyl-3-phenoxybutan-1-ol
CID 59317089
3-(2,4,4-trimethylpentan-2-yloxy)pyridine
CID 145496558
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951
(E)-3-[4-(2,4,4-trimethylpentan-2-yloxy)phenyl]prop-2-enoic acid
CID 144989112
ethane-1,2-diol;phenoxybenzene;phosphoric acid
CID 175293363
4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
CID 143021723
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 129038236
3-(2-methyl-2-phenoxypropyl)benzoic acid
CID 134350540

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene?
The IUPAC name of phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene (CID 156565005) is phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene.
What is the SMILES notation for phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene?
The canonical SMILES for phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene is CC(C)(C)CC(C)(C)Oc1ccccc1.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene?
The InChIKey is BQSBVTJPXPXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.H3O4P/c1-13(2,3)11-14(4,5)15-12-9-7-6-8-10-12;1-5(2,3)4/h6-10H,11H2,1-5H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene?
phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene has a molecular weight of 304.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene is sourced from PubChem (CID 156565005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).