californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol

C13H19Cf2O2- — CID 58278990

IUPACcalifornium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol
SMILESCCC(O)COc1[c-]cc(C(C)C)cc1.[Cf].[Cf]
InChIInChI=1S/C13H19O2.2Cf/c1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;;/h5-7,10,12,14H,4,9H2,1-3H3;;/q-1;;
InChIKeySGQCZZQGHYHFHR-UHFFFAOYSA-N
MW709.29 g/mol
LogP2.76
Rot. Bonds5

About californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol

californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol (PubChem CID 58278990) has the molecular formula C13H19Cf2O2- and a molecular weight of 709.29 g/mol. Its IUPAC name is californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol.

Molecular Properties

Compound Namecalifornium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol
PubChem CID58278990
Molecular FormulaC13H19Cf2O2-
Molecular Weight709.29 g/mol
Exact Mass705.29
IUPAC Namecalifornium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol
SMILESCCC(O)COc1[c-]cc(C(C)C)cc1.[Cf].[Cf]
InChIInChI=1S/C13H19O2.2Cf/c1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;;/h5-7,10,12,14H,4,9H2,1-3H3;;/q-1;;
InChIKeySGQCZZQGHYHFHR-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-ol
CID 101004521
Dihydro methyl eugenol
CID 67546071
(2R,3Z)-3-[(E)-2-fluoroprop-1-enyl]-4-methoxy-2-(2-methoxyethoxy)hexa-3,5-dien-1-ol
CID 129160832
(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol
CID 14983107
(4Z)-4-ethoxy-2,2,6-trimethylhepta-4,6-dien-3-ol
CID 101669719
4-O-(2-hydroxy-1-hydroxymethylethyl)-dihydroconiferyl alcohol
CID 129848335
2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol
CID 142810090
3-Cyclohexa-1,5-dien-1-yloxypropane-1,2-diol
CID 20289530
(3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
CID 20571371
3-(1-Cyclopenta-1,3-dien-1-ylethoxy)propane-1,2-diol
CID 22003276
3-[1-(2-Methylcyclopenta-1,3-dien-1-yl)ethoxy]propane-1,2-diol
CID 22003309
2,6-Dimethoxy-3,4,6-trimethylcyclohexa-2,4-dien-1-ol
CID 22757031

Frequently Asked Questions

What is the IUPAC name of californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol?
The IUPAC name of californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol (CID 58278990) is californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol.
What is the SMILES notation for californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol?
The canonical SMILES for californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol is CCC(O)COc1[c-]cc(C(C)C)cc1.[Cf].[Cf].
What is the InChIKey of californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol?
The InChIKey is SGQCZZQGHYHFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O2.2Cf/c1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;;/h5-7,10,12,14H,4,9H2,1-3H3;;/q-1;;.
What are the key properties of californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol?
californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol has a molecular weight of 709.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for californium;1-(4-propan-2-ylbenzene-6-id-1-yl)oxybutan-2-ol is sourced from PubChem (CID 58278990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).