(2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol

C15H28O — CID 166851266

IUPAC(2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol
SMILESCCC(C)(/C(C=C(C)C)=C(/C)O)C(C)(C)C
InChIInChI=1S/C15H28O/c1-9-15(8,14(5,6)7)13(12(4)16)10-11(2)3/h10,16H,9H2,1-8H3/b13-12-
InChIKeyVJFNNNWHZFYIIE-SEYXRHQNSA-N
MW224.39 g/mol
LogP5.25
Rot. Bonds3

About (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol

(2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol (PubChem CID 166851266) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol
PubChem CID166851266
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol
SMILESCCC(C)(/C(C=C(C)C)=C(/C)O)C(C)(C)C
InChIInChI=1S/C15H28O/c1-9-15(8,14(5,6)7)13(12(4)16)10-11(2)3/h10,16H,9H2,1-8H3/b13-12-
InChIKeyVJFNNNWHZFYIIE-SEYXRHQNSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol?
The IUPAC name of (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol (CID 166851266) is (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol.
What is the SMILES notation for (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol?
The canonical SMILES for (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol is CCC(C)(/C(C=C(C)C)=C(/C)O)C(C)(C)C.
What is the InChIKey of (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol?
The InChIKey is VJFNNNWHZFYIIE-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H28O/c1-9-15(8,14(5,6)7)13(12(4)16)10-11(2)3/h10,16H,9H2,1-8H3/b13-12-.
What are the key properties of (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol?
(2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol has a molecular weight of 224.39 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-3-(2,2,3-trimethylpentan-3-yl)hexa-2,4-dien-2-ol is sourced from PubChem (CID 166851266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).