(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene

C12H22 — CID 161401294

IUPAC(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
SMILESCC(C)=C(C)/C(C)=C(\C)C(C)C
InChIInChI=1S/C12H22/c1-8(2)10(5)12(7)11(6)9(3)4/h8H,1-7H3/b12-10+
InChIKeySCIJUYWFJPGAQL-ZRDIBKRKSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds2

About (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene

(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene (PubChem CID 161401294) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene.

Molecular Properties

Compound Name(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
PubChem CID161401294
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
SMILESCC(C)=C(C)/C(C)=C(\C)C(C)C
InChIInChI=1S/C12H22/c1-8(2)10(5)12(7)11(6)9(3)4/h8H,1-7H3/b12-10+
InChIKeySCIJUYWFJPGAQL-ZRDIBKRKSA-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

2,3,4-trimethylpent-2-ene
CID 11270
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
(Z)-2,3,4-trimethylpent-2-enoic acid
CID 59976239
2,4,5,6-tetramethylhept-4-en-3-one
CID 159203948
N,2,3,4,5,6-hexamethylhepta-3,5-dienamide
CID 3631185
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
methyl (E)-2,3,4-trimethylpent-2-enoate
CID 122645067
(Z)-3,4-dimethylpent-2-ene-2-thiol
CID 176996545
methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
CID 162024182
2,2-bis(hydroxymethyl)propane-1,3-diol;2,3,4-trimethylpent-2-ene
CID 159541601
(2Z,4Z,7Z)-3,7,8,9-tetramethyl-6-methylidenedeca-2,4,7-triene
CID 142494492
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887

Frequently Asked Questions

What is the IUPAC name of (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene?
The IUPAC name of (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene (CID 161401294) is (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene.
What is the SMILES notation for (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene?
The canonical SMILES for (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene is CC(C)=C(C)/C(C)=C(\C)C(C)C.
What is the InChIKey of (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene?
The InChIKey is SCIJUYWFJPGAQL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)10(5)12(7)11(6)9(3)4/h8H,1-7H3/b12-10+.
What are the key properties of (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene?
(4E)-2,3,4,5,6-pentamethylhepta-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 (4E)-2,3,4,5,6-pentamethylhepta-2,4-diene is sourced from PubChem (CID 161401294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).