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

C8H16O — CID 102396972

IUPAC(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESCC/C=C\OC(C)(C)C
InChIInChI=1S/C8H16O/c1-5-6-7-9-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-
InChIKeyHGDXHWHRRPDWQW-SREVYHEPSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds2

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

(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 102396972) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID102396972
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESCC/C=C\OC(C)(C)C
InChIInChI=1S/C8H16O/c1-5-6-7-9-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-
InChIKeyHGDXHWHRRPDWQW-SREVYHEPSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 76700833
(E)-1-[(2-methylpropan-2-yl)oxy]but-1-ene;1-methylpyrrolidine-2-carboxylic acid
CID 144897436
(Z)-1-methoxybut-1-ene
CID 5366227
(E)-1-ethenoxybut-1-ene
CID 173170076
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
(E)-2,2-dimethylhex-3-ene
CID 5357261
(E)-1-[(Z)-but-1-enoxy]pent-1-ene
CID 173340391
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
1-(2-chloroethoxy)but-1-ene
CID 123683593
CID 169085448
CID 169085448
[(E)-2-methylhex-3-en-2-yl]oxysilane
CID 173198627

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 102396972) is (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene is CC/C=C\OC(C)(C)C.
What is the InChIKey of (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is HGDXHWHRRPDWQW-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16O/c1-5-6-7-9-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-.
What are the key properties of (Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.73, 2 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]but-1-ene is sourced from PubChem (CID 102396972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).