(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc

C16H25OZn- — CID 11289501

IUPAC(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc
SMILESCc1ccc([C@@H](O)/C=C/C(C)(C)C)cc1.[CH2-]C.[Zn]
InChIInChI=1S/C14H20O.C2H5.Zn/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)4;1-2;/h5-10,13,15H,1-4H3;1H2,2H3;/q;-1;/b10-9+;;/t13-;;/m0../s1
InChIKeyXACLXCFOCRBXEH-XDNDIPBESA-N
MW298.77 g/mol
LogP4.47
Rot. Bonds2

About (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc

(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc (PubChem CID 11289501) has the molecular formula C16H25OZn- and a molecular weight of 298.77 g/mol. Its IUPAC name is (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc.

Molecular Properties

Compound Name(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc
PubChem CID11289501
Molecular FormulaC16H25OZn-
Molecular Weight298.77 g/mol
Exact Mass297.12
IUPAC Name(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc
SMILESCc1ccc([C@@H](O)/C=C/C(C)(C)C)cc1.[CH2-]C.[Zn]
InChIInChI=1S/C14H20O.C2H5.Zn/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)4;1-2;/h5-10,13,15H,1-4H3;1H2,2H3;/q;-1;/b10-9+;;/t13-;;/m0../s1
InChIKeyXACLXCFOCRBXEH-XDNDIPBESA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,1S)-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pent-2-en-1-ol;ethane;zinc
CID 11291097
(E)-1-(4-methylphenyl)but-2-en-1-ol
CID 10866652
1-(4-methylphenyl)prop-2-en-1-ol
CID 10931590
(E)-1-(4-methylphenyl)but-2-ene-1,4-diol
CID 70488994
2-methyl-1-(4-methylphenyl)propane-1,2-diol
CID 10535384
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
ethyl (2Z,4E)-3-ethoxy-6-hydroxy-6-(4-methylphenyl)hexa-2,4-dienoate
CID 15325386
4-methyl-1-(4-methylphenyl)penta-2,3-dien-1-ol
CID 130125593
(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanol
CID 112575230
[(E)-4-hydroxy-4-(4-methylphenyl)but-2-enyl] propanoate
CID 45142114
(E,1S)-1-(2-bromophenyl)-4,4-dimethylpent-2-en-1-ol
CID 11254199

Frequently Asked Questions

What is the IUPAC name of (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc?
The IUPAC name of (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc (CID 11289501) is (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc.
What is the SMILES notation for (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc?
The canonical SMILES for (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc is Cc1ccc([C@@H](O)/C=C/C(C)(C)C)cc1.[CH2-]C.[Zn].
What is the InChIKey of (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc?
The InChIKey is XACLXCFOCRBXEH-XDNDIPBESA-N. The full InChI is InChI=1S/C14H20O.C2H5.Zn/c1-11-5-7-12(8-6-11)13(15)9-10-14(2,3)4;1-2;/h5-10,13,15H,1-4H3;1H2,2H3;/q;-1;/b10-9+;;/t13-;;/m0../s1.
What are the key properties of (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc?
(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc has a molecular weight of 298.77 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc is sourced from PubChem (CID 11289501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).