(E)-2,2,3,6-tetramethylhept-3-ene

C11H22 — CID 13070117

IUPAC(E)-2,2,3,6-tetramethylhept-3-ene
SMILESC/C(=C\CC(C)C)C(C)(C)C
InChIInChI=1S/C11H22/c1-9(2)7-8-10(3)11(4,5)6/h8-9H,7H2,1-6H3/b10-8+
InChIKeyVTWYQVAXFCDMEF-CSKARUKUSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds2

About (E)-2,2,3,6-tetramethylhept-3-ene

(E)-2,2,3,6-tetramethylhept-3-ene (PubChem CID 13070117) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (E)-2,2,3,6-tetramethylhept-3-ene.

Molecular Properties

Compound Name(E)-2,2,3,6-tetramethylhept-3-ene
PubChem CID13070117
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(E)-2,2,3,6-tetramethylhept-3-ene
SMILESC/C(=C\CC(C)C)C(C)(C)C
InChIInChI=1S/C11H22/c1-9(2)7-8-10(3)11(4,5)6/h8-9H,7H2,1-6H3/b10-8+
InChIKeyVTWYQVAXFCDMEF-CSKARUKUSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,3-trimethylhept-3-ene
CID 73411222
(E)-1-amino-4-methylpent-1-ene-1-thiol
CID 166985345
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
(E)-2,5,6-trimethyloct-4-ene
CID 144800486
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424
(E)-2,5-dimethyloct-4-ene
CID 173056267
8-ethyl-3,3,4,7,8-pentamethyldec-4-ene
CID 123972769
(E)-5,6,6-trimethylhept-4-en-1-amine
CID 144537430
(E)-N,4,5,5-tetramethylhex-3-en-1-amine
CID 83694651
(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
(Z)-3,6-dimethylhept-3-en-1-amine
CID 178015880
(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
CID 138650644

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,3,6-tetramethylhept-3-ene?
The IUPAC name of (E)-2,2,3,6-tetramethylhept-3-ene (CID 13070117) is (E)-2,2,3,6-tetramethylhept-3-ene.
What is the SMILES notation for (E)-2,2,3,6-tetramethylhept-3-ene?
The canonical SMILES for (E)-2,2,3,6-tetramethylhept-3-ene is C/C(=C\CC(C)C)C(C)(C)C.
What is the InChIKey of (E)-2,2,3,6-tetramethylhept-3-ene?
The InChIKey is VTWYQVAXFCDMEF-CSKARUKUSA-N. The full InChI is InChI=1S/C11H22/c1-9(2)7-8-10(3)11(4,5)6/h8-9H,7H2,1-6H3/b10-8+.
What are the key properties of (E)-2,2,3,6-tetramethylhept-3-ene?
(E)-2,2,3,6-tetramethylhept-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,3,6-tetramethylhept-3-ene is sourced from PubChem (CID 13070117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).