lithium;hydride;2-prop-2-enyladamantan-2-ol

C13H21LiO — CID 173172554

IUPAClithium;hydride;2-prop-2-enyladamantan-2-ol
SMILESC=CCC1(O)C2CC3CC(C2)CC1C3.[H-].[Li+]
InChIInChI=1S/C13H20O.Li.H/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9;;/h2,9-12,14H,1,3-8H2;;/q;+1;-1
InChIKeyCAJONTGLSFTNMQ-UHFFFAOYSA-N
MW200.25 g/mol
LogP-0.13
Rot. Bonds2

About lithium;hydride;2-prop-2-enyladamantan-2-ol

lithium;hydride;2-prop-2-enyladamantan-2-ol (PubChem CID 173172554) has the molecular formula C13H21LiO and a molecular weight of 200.25 g/mol. Its IUPAC name is lithium;hydride;2-prop-2-enyladamantan-2-ol.

Molecular Properties

Compound Namelithium;hydride;2-prop-2-enyladamantan-2-ol
PubChem CID173172554
Molecular FormulaC13H21LiO
Molecular Weight200.25 g/mol
Exact Mass200.18
IUPAC Namelithium;hydride;2-prop-2-enyladamantan-2-ol
SMILESC=CCC1(O)C2CC3CC(C2)CC1C3.[H-].[Li+]
InChIInChI=1S/C13H20O.Li.H/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9;;/h2,9-12,14H,1,3-8H2;;/q;+1;-1
InChIKeyCAJONTGLSFTNMQ-UHFFFAOYSA-N
XLogP-0.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-prop-2-enyladamantan-2-ol?
The IUPAC name of lithium;hydride;2-prop-2-enyladamantan-2-ol (CID 173172554) is lithium;hydride;2-prop-2-enyladamantan-2-ol.
What is the SMILES notation for lithium;hydride;2-prop-2-enyladamantan-2-ol?
The canonical SMILES for lithium;hydride;2-prop-2-enyladamantan-2-ol is C=CCC1(O)C2CC3CC(C2)CC1C3.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-prop-2-enyladamantan-2-ol?
The InChIKey is CAJONTGLSFTNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.Li.H/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9;;/h2,9-12,14H,1,3-8H2;;/q;+1;-1.
What are the key properties of lithium;hydride;2-prop-2-enyladamantan-2-ol?
lithium;hydride;2-prop-2-enyladamantan-2-ol has a molecular weight of 200.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-prop-2-enyladamantan-2-ol is sourced from PubChem (CID 173172554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).