(Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene

C13H26O — CID 11390004

IUPAC(Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene
SMILESCCCCC/C=C\CCOC(C)(C)C
InChIInChI=1S/C13H26O/c1-5-6-7-8-9-10-11-12-14-13(2,3)4/h9-10H,5-8,11-12H2,1-4H3/b10-9-
InChIKeyLMKWKOOHBTYGER-KTKRTIGZSA-N
MW198.35 g/mol
LogP4.33
Rot. Bonds7

About (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene

(Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene (PubChem CID 11390004) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene.

Molecular Properties

Compound Name(Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene
PubChem CID11390004
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene
SMILESCCCCC/C=C\CCOC(C)(C)C
InChIInChI=1S/C13H26O/c1-5-6-7-8-9-10-11-12-14-13(2,3)4/h9-10H,5-8,11-12H2,1-4H3/b10-9-
InChIKeyLMKWKOOHBTYGER-KTKRTIGZSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.33
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)-1-[(2-methylpropan-2-yl)oxy]non-3-ene?
The IUPAC name of (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene (CID 11390004) is (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene.
What is the SMILES notation for (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene?
The canonical SMILES for (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene is CCCCC/C=C\CCOC(C)(C)C.
What is the InChIKey of (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene?
The InChIKey is LMKWKOOHBTYGER-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H26O/c1-5-6-7-8-9-10-11-12-14-13(2,3)4/h9-10H,5-8,11-12H2,1-4H3/b10-9-.
What are the key properties of (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene?
(Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene has a molecular weight of 198.35 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2-methylpropan-2-yl)oxy]non-3-ene is sourced from PubChem (CID 11390004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).