actinium;bis(3-methylhex-2-en-1-ol)

C14H28AcO2 — CID 160943648

IUPACactinium;bis(3-methylhex-2-en-1-ol)
SMILESCCCC(C)=CCO.CCCC(C)=CCO.[Ac]
InChIInChI=1S/2C7H14O.Ac/c2*1-3-4-7(2)5-6-8;/h2*5,8H,3-4,6H2,1-2H3;
InChIKeyWLEGLLSIVGHTGG-UHFFFAOYSA-N
MW455.38 g/mol
LogP3.45
Rot. Bonds6

About actinium;bis(3-methylhex-2-en-1-ol)

actinium;bis(3-methylhex-2-en-1-ol) (PubChem CID 160943648) has the molecular formula C14H28AcO2 and a molecular weight of 455.38 g/mol. Its IUPAC name is actinium;bis(3-methylhex-2-en-1-ol).

Molecular Properties

Compound Nameactinium;bis(3-methylhex-2-en-1-ol)
PubChem CID160943648
Molecular FormulaC14H28AcO2
Molecular Weight455.38 g/mol
Exact Mass455.24
IUPAC Nameactinium;bis(3-methylhex-2-en-1-ol)
SMILESCCCC(C)=CCO.CCCC(C)=CCO.[Ac]
InChIInChI=1S/2C7H14O.Ac/c2*1-3-4-7(2)5-6-8;/h2*5,8H,3-4,6H2,1-2H3;
InChIKeyWLEGLLSIVGHTGG-UHFFFAOYSA-N
XLogP3.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
5-amino-3-methylpent-2-en-1-ol
CID 167443308
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
7-ethyl-3-methylnona-2,6-dien-1-ol
CID 54398542
(E,5R)-3-methyloct-2-ene-1,5-diol
CID 163319747
3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026
(E)-2,5-dimethyloct-4-ene
CID 173056267
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(Z)-6-chloro-3-methylhex-2-en-1-ol
CID 55298259
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
3-methylocta-2,6-dien-1-ol
CID 57183202
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053

Frequently Asked Questions

What is the IUPAC name of actinium;bis(3-methylhex-2-en-1-ol)?
The IUPAC name of actinium;bis(3-methylhex-2-en-1-ol) (CID 160943648) is actinium;bis(3-methylhex-2-en-1-ol).
What is the SMILES notation for actinium;bis(3-methylhex-2-en-1-ol)?
The canonical SMILES for actinium;bis(3-methylhex-2-en-1-ol) is CCCC(C)=CCO.CCCC(C)=CCO.[Ac].
What is the InChIKey of actinium;bis(3-methylhex-2-en-1-ol)?
The InChIKey is WLEGLLSIVGHTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O.Ac/c2*1-3-4-7(2)5-6-8;/h2*5,8H,3-4,6H2,1-2H3;.
What are the key properties of actinium;bis(3-methylhex-2-en-1-ol)?
actinium;bis(3-methylhex-2-en-1-ol) has a molecular weight of 455.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;bis(3-methylhex-2-en-1-ol) is sourced from PubChem (CID 160943648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).