(2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol

C14H26O2 — CID 11128019

IUPAC(2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol
SMILESCC(C)(C)/C(=C/C(=C\CO)C(C)(C)C)CO
InChIInChI=1S/C14H26O2/c1-13(2,3)11(7-8-15)9-12(10-16)14(4,5)6/h7,9,15-16H,8,10H2,1-6H3/b11-7+,12-9+
InChIKeyRASVRRUWYKVLOQ-HNWKWBPYSA-N
MW226.36 g/mol
LogP2.92
Rot. Bonds3

About (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol

(2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol (PubChem CID 11128019) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol.

Molecular Properties

Compound Name(2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol
PubChem CID11128019
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol
SMILESCC(C)(C)/C(=C/C(=C\CO)C(C)(C)C)CO
InChIInChI=1S/C14H26O2/c1-13(2,3)11(7-8-15)9-12(10-16)14(4,5)6/h7,9,15-16H,8,10H2,1-6H3/b11-7+,12-9+
InChIKeyRASVRRUWYKVLOQ-HNWKWBPYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol?
The IUPAC name of (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol (CID 11128019) is (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol.
What is the SMILES notation for (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol?
The canonical SMILES for (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol is CC(C)(C)/C(=C/C(=C\CO)C(C)(C)C)CO.
What is the InChIKey of (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol?
The InChIKey is RASVRRUWYKVLOQ-HNWKWBPYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2,3)11(7-8-15)9-12(10-16)14(4,5)6/h7,9,15-16H,8,10H2,1-6H3/b11-7+,12-9+.
What are the key properties of (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol?
(2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol has a molecular weight of 226.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,4-ditert-butylhexa-2,4-diene-1,6-diol is sourced from PubChem (CID 11128019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).