(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene

C10H20O — CID 13138922

IUPAC(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC/C(=C/OC(C)(C)C)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)9(3)7-11-10(4,5)6/h7-8H,1-6H3/b9-7-
InChIKeyILXMQRAWXVDNDU-CLFYSBASSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds2

About (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene

(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene (PubChem CID 13138922) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene.

Molecular Properties

Compound Name(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
PubChem CID13138922
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
SMILESC/C(=C/OC(C)(C)C)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)9(3)7-11-10(4,5)6/h7-8H,1-6H3/b9-7-
InChIKeyILXMQRAWXVDNDU-CLFYSBASSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.36
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

3,3-Dimethyl-2-(2-methyl-propenyloxy)-but-1-ene
CID 21625930
3-Methyl-2-(2-methyl-propenyloxy)-but-1-ene
CID 21625928
(E)-2-methyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138919
(E)-2,3,3-trimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 13138923
(1E)-3-methyl-1-[(2-methylpropan-2-yl)oxy]buta-1,3-diene
CID 15032896
(E)-4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 15032902
1-(tert-Butoxy)-2-methylprop-1-ene
CID 21720145
(E)-2-methyl-1-(3-methylbutoxy)but-1-ene
CID 22234787
3-(2-Methylpropoxymethylidene)pentane
CID 22234806
2-Methyl-2-(2-methylprop-1-enoxy)butane
CID 22234808
(E)-2-methyl-1-propan-2-yloxybut-1-ene
CID 22234812
3-(2-Methylbutan-2-yloxymethylidene)pentane
CID 22234817

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The IUPAC name of (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene (CID 13138922) is (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene.
What is the SMILES notation for (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The canonical SMILES for (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene is C/C(=C/OC(C)(C)C)C(C)C.
What is the InChIKey of (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
The InChIKey is ILXMQRAWXVDNDU-CLFYSBASSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)9(3)7-11-10(4,5)6/h7-8H,1-6H3/b9-7-.
What are the key properties of (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene?
(Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]but-1-ene is sourced from PubChem (CID 13138922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).