(1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol

C11H20O — CID 88941359

IUPAC(1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol
SMILESCC/C(C)=C/C(=C/O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-9(2)7-10(8-12)11(3,4)5/h7-8,12H,6H2,1-5H3/b9-7+,10-8-
InChIKeyQJXDDAKNKTWSKC-ZWOQCJTASA-N
MW168.28 g/mol
LogP3.83
Rot. Bonds2

About (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol

(1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol (PubChem CID 88941359) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol
PubChem CID88941359
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol
SMILESCC/C(C)=C/C(=C/O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-9(2)7-10(8-12)11(3,4)5/h7-8,12H,6H2,1-5H3/b9-7+,10-8-
InChIKeyQJXDDAKNKTWSKC-ZWOQCJTASA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.83
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 (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol?
The IUPAC name of (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol (CID 88941359) is (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol.
What is the SMILES notation for (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol?
The canonical SMILES for (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol is CC/C(C)=C/C(=C/O)C(C)(C)C.
What is the InChIKey of (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol?
The InChIKey is QJXDDAKNKTWSKC-ZWOQCJTASA-N. The full InChI is InChI=1S/C11H20O/c1-6-9(2)7-10(8-12)11(3,4)5/h7-8,12H,6H2,1-5H3/b9-7+,10-8-.
What are the key properties of (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol?
(1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-tert-butyl-4-methylhexa-1,3-dien-1-ol is sourced from PubChem (CID 88941359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).