(3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol

C15H26O2 — CID 155033525

IUPAC(3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol
SMILESC=C(O)/C(=C\C=C\C)CCCC(O)C(C)(C)C
InChIInChI=1S/C15H26O2/c1-6-7-9-13(12(2)16)10-8-11-14(17)15(3,4)5/h6-7,9,14,16-17H,2,8,10-11H2,1,3-5H3/b7-6+,13-9-
InChIKeyUHBYHMUHPAECFB-PXBDENQTSA-N
MW238.37 g/mol
LogP4.14
Rot. Bonds6

About (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol

(3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol (PubChem CID 155033525) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol.

Molecular Properties

Compound Name(3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol
PubChem CID155033525
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol
SMILESC=C(O)/C(=C\C=C\C)CCCC(O)C(C)(C)C
InChIInChI=1S/C15H26O2/c1-6-7-9-13(12(2)16)10-8-11-14(17)15(3,4)5/h6-7,9,14,16-17H,2,8,10-11H2,1,3-5H3/b7-6+,13-9-
InChIKeyUHBYHMUHPAECFB-PXBDENQTSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol?
The IUPAC name of (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol (CID 155033525) is (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol.
What is the SMILES notation for (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol?
The canonical SMILES for (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol is C=C(O)/C(=C\C=C\C)CCCC(O)C(C)(C)C.
What is the InChIKey of (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol?
The InChIKey is UHBYHMUHPAECFB-PXBDENQTSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-7-9-13(12(2)16)10-8-11-14(17)15(3,4)5/h6-7,9,14,16-17H,2,8,10-11H2,1,3-5H3/b7-6+,13-9-.
What are the key properties of (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol?
(3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol has a molecular weight of 238.37 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol is sourced from PubChem (CID 155033525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).