(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene

C12H22 — CID 177352522

IUPAC(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
SMILESC/C=C(\C=C(\C)CC)C(C)(C)C
InChIInChI=1S/C12H22/c1-7-10(3)9-11(8-2)12(4,5)6/h8-9H,7H2,1-6H3/b10-9-,11-8+
InChIKeyDEKQVQOQLCJQGX-LMMFKTOUSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds2

About (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene

(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene (PubChem CID 177352522) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
PubChem CID177352522
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
SMILESC/C=C(\C=C(\C)CC)C(C)(C)C
InChIInChI=1S/C12H22/c1-7-10(3)9-11(8-2)12(4,5)6/h8-9H,7H2,1-6H3/b10-9-,11-8+
InChIKeyDEKQVQOQLCJQGX-LMMFKTOUSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
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

N-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimine
CID 146529154
N'-[(1E,3E)-2-tert-butyl-4-methylhexa-1,3-dienyl]ethanimidamide
CID 146529162
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
(Z)-6-fluoro-3,6-dimethyl-5-methylidenehept-3-ene
CID 142164925
(3E)-5-tert-butyl-2-methylhepta-1,3,5-trien-3-amine
CID 143941928
(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
CID 144520293
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
(Z)-4-methylhex-3-en-2-one
CID 12930146
(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene
CID 145113868
(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene
CID 10797426

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene (CID 177352522) is (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene is C/C=C(\C=C(\C)CC)C(C)(C)C.
What is the InChIKey of (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene?
The InChIKey is DEKQVQOQLCJQGX-LMMFKTOUSA-N. The full InChI is InChI=1S/C12H22/c1-7-10(3)9-11(8-2)12(4,5)6/h8-9H,7H2,1-6H3/b10-9-,11-8+.
What are the key properties of (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene?
(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene is sourced from PubChem (CID 177352522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).