(3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate

C18H28O2U — CID 162754744

IUPAC(3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate
SMILESCC1CC2CC(c3ccccc3)(C1)CC(C)C2CO.O.[U]
InChIInChI=1S/C18H26O.H2O.U/c1-13-8-15-11-18(9-13,10-14(2)17(15)12-19)16-6-4-3-5-7-16;;/h3-7,13-15,17,19H,8-12H2,1-2H3;1H2;
InChIKeyFTZFFTJJRKXWPY-UHFFFAOYSA-N
MW514.45 g/mol
LogP3.18
Rot. Bonds2

About (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate

(3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate (PubChem CID 162754744) has the molecular formula C18H28O2U and a molecular weight of 514.45 g/mol. Its IUPAC name is (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate.

Molecular Properties

Compound Name(3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate
PubChem CID162754744
Molecular FormulaC18H28O2U
Molecular Weight514.45 g/mol
Exact Mass514.26
IUPAC Name(3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate
SMILESCC1CC2CC(c3ccccc3)(C1)CC(C)C2CO.O.[U]
InChIInChI=1S/C18H26O.H2O.U/c1-13-8-15-11-18(9-13,10-14(2)17(15)12-19)16-6-4-3-5-7-16;;/h3-7,13-15,17,19H,8-12H2,1-2H3;1H2;
InChIKeyFTZFFTJJRKXWPY-UHFFFAOYSA-N
XLogP3.18
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate?
The IUPAC name of (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate (CID 162754744) is (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate.
What is the SMILES notation for (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate?
The canonical SMILES for (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate is CC1CC2CC(c3ccccc3)(C1)CC(C)C2CO.O.[U].
What is the InChIKey of (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate?
The InChIKey is FTZFFTJJRKXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O.H2O.U/c1-13-8-15-11-18(9-13,10-14(2)17(15)12-19)16-6-4-3-5-7-16;;/h3-7,13-15,17,19H,8-12H2,1-2H3;1H2;.
What are the key properties of (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate?
(3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate has a molecular weight of 514.45 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-5-phenyl-2-bicyclo[3.3.1]nonanyl)methanol;uranium;hydrate is sourced from PubChem (CID 162754744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).