(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene

C14H28O — CID 59344635

IUPAC(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
SMILESCC(C)(C)/C=C\CCCCOC(C)(C)C
InChIInChI=1S/C14H28O/c1-13(2,3)11-9-7-8-10-12-15-14(4,5)6/h9,11H,7-8,10,12H2,1-6H3/b11-9-
InChIKeyLPIBDTNXAHZWBN-LUAWRHEFSA-N
MW212.38 g/mol
LogP4.57
Rot. Bonds5

About (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene

(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene (PubChem CID 59344635) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene.

Molecular Properties

Compound Name(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
PubChem CID59344635
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
SMILESCC(C)(C)/C=C\CCCCOC(C)(C)C
InChIInChI=1S/C14H28O/c1-13(2,3)11-9-7-8-10-12-15-14(4,5)6/h9,11H,7-8,10,12H2,1-6H3/b11-9-
InChIKeyLPIBDTNXAHZWBN-LUAWRHEFSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene?
The IUPAC name of (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene (CID 59344635) is (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene.
What is the SMILES notation for (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene?
The canonical SMILES for (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene is CC(C)(C)/C=C\CCCCOC(C)(C)C.
What is the InChIKey of (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene?
The InChIKey is LPIBDTNXAHZWBN-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H28O/c1-13(2,3)11-9-7-8-10-12-15-14(4,5)6/h9,11H,7-8,10,12H2,1-6H3/b11-9-.
What are the key properties of (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene?
(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene has a molecular weight of 212.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene is sourced from PubChem (CID 59344635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).