cesium (2R)-2,5-dimethylhex-5-en-1-ol

C8H15CsO — CID 135039405

IUPACcesium (2R)-2,5-dimethylhex-5-en-1-ol
SMILESC=C(C)CC[C@@H](C)[CH-]O.[Cs+]
InChIInChI=1S/C8H15O.Cs/c1-7(2)4-5-8(3)6-9;/h6,8-9H,1,4-5H2,2-3H3;/q-1;+1/t8-;/m1./s1
InChIKeyHDNYTUDYPBNVJA-DDWIOCJRSA-N
MW260.11 g/mol
LogP-0.48
Rot. Bonds4

About cesium (2R)-2,5-dimethylhex-5-en-1-ol

cesium (2R)-2,5-dimethylhex-5-en-1-ol (PubChem CID 135039405) has the molecular formula C8H15CsO and a molecular weight of 260.11 g/mol. Its IUPAC name is cesium (2R)-2,5-dimethylhex-5-en-1-ol.

Molecular Properties

Compound Namecesium (2R)-2,5-dimethylhex-5-en-1-ol
PubChem CID135039405
Molecular FormulaC8H15CsO
Molecular Weight260.11 g/mol
Exact Mass260.02
IUPAC Namecesium (2R)-2,5-dimethylhex-5-en-1-ol
SMILESC=C(C)CC[C@@H](C)[CH-]O.[Cs+]
InChIInChI=1S/C8H15O.Cs/c1-7(2)4-5-8(3)6-9;/h6,8-9H,1,4-5H2,2-3H3;/q-1;+1/t8-;/m1./s1
InChIKeyHDNYTUDYPBNVJA-DDWIOCJRSA-N
XLogP-0.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cesium (2R)-2,5-dimethylhex-5-en-1-ol?
The IUPAC name of cesium (2R)-2,5-dimethylhex-5-en-1-ol (CID 135039405) is cesium (2R)-2,5-dimethylhex-5-en-1-ol.
What is the SMILES notation for cesium (2R)-2,5-dimethylhex-5-en-1-ol?
The canonical SMILES for cesium (2R)-2,5-dimethylhex-5-en-1-ol is C=C(C)CC[C@@H](C)[CH-]O.[Cs+].
What is the InChIKey of cesium (2R)-2,5-dimethylhex-5-en-1-ol?
The InChIKey is HDNYTUDYPBNVJA-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H15O.Cs/c1-7(2)4-5-8(3)6-9;/h6,8-9H,1,4-5H2,2-3H3;/q-1;+1/t8-;/m1./s1.
What are the key properties of cesium (2R)-2,5-dimethylhex-5-en-1-ol?
cesium (2R)-2,5-dimethylhex-5-en-1-ol has a molecular weight of 260.11 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium (2R)-2,5-dimethylhex-5-en-1-ol is sourced from PubChem (CID 135039405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).