(E)-2,2,4,6,6-pentamethylhept-3-ene

C12H24 — CID 5365103

IUPAC(E)-2,2,4,6,6-pentamethylhept-3-ene
SMILESC/C(=C\C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+
InChIKeyNBUMCEJRJRRLCA-CSKARUKUSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds1

About (E)-2,2,4,6,6-pentamethylhept-3-ene

(E)-2,2,4,6,6-pentamethylhept-3-ene (PubChem CID 5365103) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (E)-2,2,4,6,6-pentamethylhept-3-ene.

Molecular Properties

Compound Name(E)-2,2,4,6,6-pentamethylhept-3-ene
PubChem CID5365103
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(E)-2,2,4,6,6-pentamethylhept-3-ene
SMILESC/C(=C\C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+
InChIKeyNBUMCEJRJRRLCA-CSKARUKUSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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)-2,2,4,6,6-pentamethylhept-3-ene?
The IUPAC name of (E)-2,2,4,6,6-pentamethylhept-3-ene (CID 5365103) is (E)-2,2,4,6,6-pentamethylhept-3-ene.
What is the SMILES notation for (E)-2,2,4,6,6-pentamethylhept-3-ene?
The canonical SMILES for (E)-2,2,4,6,6-pentamethylhept-3-ene is C/C(=C\C(C)(C)C)CC(C)(C)C.
What is the InChIKey of (E)-2,2,4,6,6-pentamethylhept-3-ene?
The InChIKey is NBUMCEJRJRRLCA-CSKARUKUSA-N. The full InChI is InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+.
What are the key properties of (E)-2,2,4,6,6-pentamethylhept-3-ene?
(E)-2,2,4,6,6-pentamethylhept-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,4,6,6-pentamethylhept-3-ene is sourced from PubChem (CID 5365103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).