carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium

C11H21O2U- — CID 149178506

IUPACcarbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium
SMILESCC1(C)C2CC(O)C(C)(O)C1C2.[CH3-].[U]
InChIInChI=1S/C10H18O2.CH3.U/c1-9(2)6-4-7(9)10(3,12)8(11)5-6;;/h6-8,11-12H,4-5H2,1-3H3;1H3;/q;-1;
InChIKeyMBMIJNJHALCCHA-UHFFFAOYSA-N
MW423.32 g/mol
LogP1.61
Rot. Bonds

About carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium

carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium (PubChem CID 149178506) has the molecular formula C11H21O2U- and a molecular weight of 423.32 g/mol. Its IUPAC name is carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium.

Molecular Properties

Compound Namecarbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium
PubChem CID149178506
Molecular FormulaC11H21O2U-
Molecular Weight423.32 g/mol
Exact Mass423.21
IUPAC Namecarbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium
SMILESCC1(C)C2CC(O)C(C)(O)C1C2.[CH3-].[U]
InChIInChI=1S/C10H18O2.CH3.U/c1-9(2)6-4-7(9)10(3,12)8(11)5-6;;/h6-8,11-12H,4-5H2,1-3H3;1H3;/q;-1;
InChIKeyMBMIJNJHALCCHA-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 11875864
(2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 2724867
2-amino-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol
CID 102113359
(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 126970080
(1R,2R,3S,5R)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 10986679
(1R,2R,3S,5R)-6,6-dimethyl-2-(2-sulfanylethyl)bicyclo[3.1.1]heptane-2,3-diol
CID 87752815
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1R,2S,3S,5R)-6,6-dimethyl-2-(octoxymethyl)bicyclo[3.1.1]heptane-2,3-diol
CID 10851658
(1S,2S,3R,5S)-3-(2-hydroxyethylamino)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 101212284
(2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) sulfite
CID 89391682
(2R,4R,5R,6S)-5,6-dimethyloxane-2,4,5-triol
CID 130831745

Frequently Asked Questions

What is the IUPAC name of carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium?
The IUPAC name of carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium (CID 149178506) is carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium.
What is the SMILES notation for carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium?
The canonical SMILES for carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium is CC1(C)C2CC(O)C(C)(O)C1C2.[CH3-].[U].
What is the InChIKey of carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium?
The InChIKey is MBMIJNJHALCCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.CH3.U/c1-9(2)6-4-7(9)10(3,12)8(11)5-6;;/h6-8,11-12H,4-5H2,1-3H3;1H3;/q;-1;.
What are the key properties of carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium?
carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium has a molecular weight of 423.32 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium is sourced from PubChem (CID 149178506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).