(Z)-2,2,4,5,7,7-hexamethyloct-4-ene

C14H28 — CID 140681309

IUPAC(Z)-2,2,4,5,7,7-hexamethyloct-4-ene
SMILESC/C(CC(C)(C)C)=C(\C)CC(C)(C)C
InChIInChI=1S/C14H28/c1-11(9-13(3,4)5)12(2)10-14(6,7)8/h9-10H2,1-8H3/b12-11-
InChIKeyJBIATTXPWGLAKJ-QXMHVHEDSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds2

About (Z)-2,2,4,5,7,7-hexamethyloct-4-ene

(Z)-2,2,4,5,7,7-hexamethyloct-4-ene (PubChem CID 140681309) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (Z)-2,2,4,5,7,7-hexamethyloct-4-ene.

Molecular Properties

Compound Name(Z)-2,2,4,5,7,7-hexamethyloct-4-ene
PubChem CID140681309
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(Z)-2,2,4,5,7,7-hexamethyloct-4-ene
SMILESC/C(CC(C)(C)C)=C(\C)CC(C)(C)C
InChIInChI=1S/C14H28/c1-11(9-13(3,4)5)12(2)10-14(6,7)8/h9-10H2,1-8H3/b12-11-
InChIKeyJBIATTXPWGLAKJ-QXMHVHEDSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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

2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
3,5,5-Trimethyl-2-hexene
CID 5365055
2,2,4,6,6-Pentamethyl-3-heptene
CID 31259
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
1,2,4,4-Tetramethylcyclopentene
CID 144123
2-Hexene, 2,3,5,5-tetramethyl-
CID 141765
2,3,5-Trimethyl-2-hexene
CID 14713429
2,4-Dimethyl-3-isopropyl-2-pentene
CID 21721495
3-Hexene, 2,5-dimethyl-3,4-bis(1-methylethyl)-
CID 138917
(E)-2,3-Di-tert-butyl-2-butene
CID 638064
3,5,5-Trimethylhex-2-ene
CID 520267
2,4,4,6-Tetramethyl-2-heptene
CID 566184

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,4,5,7,7-hexamethyloct-4-ene?
The IUPAC name of (Z)-2,2,4,5,7,7-hexamethyloct-4-ene (CID 140681309) is (Z)-2,2,4,5,7,7-hexamethyloct-4-ene.
What is the SMILES notation for (Z)-2,2,4,5,7,7-hexamethyloct-4-ene?
The canonical SMILES for (Z)-2,2,4,5,7,7-hexamethyloct-4-ene is C/C(CC(C)(C)C)=C(\C)CC(C)(C)C.
What is the InChIKey of (Z)-2,2,4,5,7,7-hexamethyloct-4-ene?
The InChIKey is JBIATTXPWGLAKJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H28/c1-11(9-13(3,4)5)12(2)10-14(6,7)8/h9-10H2,1-8H3/b12-11-.
What are the key properties of (Z)-2,2,4,5,7,7-hexamethyloct-4-ene?
(Z)-2,2,4,5,7,7-hexamethyloct-4-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,4,5,7,7-hexamethyloct-4-ene is sourced from PubChem (CID 140681309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).