(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene

C14H26 — CID 157253395

IUPAC(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
SMILESC=C(C)/C(=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26/c1-10(2)12(14(7,8)9)11(3)13(4,5)6/h1H2,2-9H3/b12-11-
InChIKeyRADYGQPAYBVGAK-QXMHVHEDSA-N
MW194.36 g/mol
LogP4.97
Rot. Bonds1

About (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene

(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene (PubChem CID 157253395) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
PubChem CID157253395
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
SMILESC=C(C)/C(=C(\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26/c1-10(2)12(14(7,8)9)11(3)13(4,5)6/h1H2,2-9H3/b12-11-
InChIKeyRADYGQPAYBVGAK-QXMHVHEDSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine
CID 138649011
2,3-dichloro-3-methylbut-1-ene
CID 12615568
2,2,4,5,5-pentamethylhex-3-en-3-amine
CID 162278721
lithium (Z)-3,4,4-trimethylpent-2-en-2-olate
CID 134874168
lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate
CID 134987526
N-(2,2-dimethylpropyl)-3-methylbuta-1,3-dien-2-amine
CID 138622803
(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
CID 173290538
CID 173290538
3,3-dimethylbut-1-en-2-ylsilane
CID 173032105
3,3-dimethylbut-1-en-2-amine
CID 15393104
3,3-dimethyl-2-methylidenebutane-1-thiol
CID 139438130

Frequently Asked Questions

What is the IUPAC name of (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene?
The IUPAC name of (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene (CID 157253395) is (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene.
What is the SMILES notation for (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene?
The canonical SMILES for (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene is C=C(C)/C(=C(\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene?
The InChIKey is RADYGQPAYBVGAK-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H26/c1-10(2)12(14(7,8)9)11(3)13(4,5)6/h1H2,2-9H3/b12-11-.
What are the key properties of (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene?
(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene has a molecular weight of 194.36 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene is sourced from PubChem (CID 157253395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).