(E)-2,2,3,4,5,5-hexamethylhex-3-ene

C12H24 — CID 638064

IUPAC(E)-2,2,3,4,5,5-hexamethylhex-3-ene
SMILESC/C(=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24/c1-9(11(3,4)5)10(2)12(6,7)8/h1-8H3/b10-9+
InChIKeyUKVHFKANOLLXHC-MDZDMXLPSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds

About (E)-2,2,3,4,5,5-hexamethylhex-3-ene

(E)-2,2,3,4,5,5-hexamethylhex-3-ene (PubChem CID 638064) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (E)-2,2,3,4,5,5-hexamethylhex-3-ene.

Molecular Properties

Compound Name(E)-2,2,3,4,5,5-hexamethylhex-3-ene
PubChem CID638064
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(E)-2,2,3,4,5,5-hexamethylhex-3-ene
SMILESC/C(=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24/c1-9(11(3,4)5)10(2)12(6,7)8/h1-8H3/b10-9+
InChIKeyUKVHFKANOLLXHC-MDZDMXLPSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,3,4,5,5-hexamethylhex-3-ene?
The IUPAC name of (E)-2,2,3,4,5,5-hexamethylhex-3-ene (CID 638064) is (E)-2,2,3,4,5,5-hexamethylhex-3-ene.
What is the SMILES notation for (E)-2,2,3,4,5,5-hexamethylhex-3-ene?
The canonical SMILES for (E)-2,2,3,4,5,5-hexamethylhex-3-ene is C/C(=C(/C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-2,2,3,4,5,5-hexamethylhex-3-ene?
The InChIKey is UKVHFKANOLLXHC-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H24/c1-9(11(3,4)5)10(2)12(6,7)8/h1-8H3/b10-9+.
What are the key properties of (E)-2,2,3,4,5,5-hexamethylhex-3-ene?
(E)-2,2,3,4,5,5-hexamethylhex-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,3,4,5,5-hexamethylhex-3-ene is sourced from PubChem (CID 638064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).