(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene

C14H28 — CID 5365072

IUPAC(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
SMILESC/C(=C\C(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h10H,1-9H3/b11-10+
InChIKeyRVZGQICOUDJTHV-ZHACJKMWSA-N
MW196.38 g/mol
LogP5.05
Rot. Bonds1

About (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene

(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene (PubChem CID 5365072) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene.

Molecular Properties

Compound Name(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
PubChem CID5365072
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
SMILESC/C(=C\C(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h10H,1-9H3/b11-10+
InChIKeyRVZGQICOUDJTHV-ZHACJKMWSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.05
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)-2,2,3,5,5,6,6-heptamethylhept-3-ene?
The IUPAC name of (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene (CID 5365072) is (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene.
What is the SMILES notation for (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene?
The canonical SMILES for (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene is C/C(=C\C(C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene?
The InChIKey is RVZGQICOUDJTHV-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H28/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h10H,1-9H3/b11-10+.
What are the key properties of (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene?
(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene has a molecular weight of 196.38 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,3,5,5,6,6-heptamethylhept-3-ene is sourced from PubChem (CID 5365072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).