(E)-1-ethoxy-3,3-dimethylbut-1-ene

C8H16O — CID 5462937

IUPAC(E)-1-ethoxy-3,3-dimethylbut-1-ene
SMILESCCO/C=C/C(C)(C)C
InChIInChI=1S/C8H16O/c1-5-9-7-6-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKeyWSGATPNSJGOYHJ-VOTSOKGWSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds2

About (E)-1-ethoxy-3,3-dimethylbut-1-ene

(E)-1-ethoxy-3,3-dimethylbut-1-ene (PubChem CID 5462937) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-1-ethoxy-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-3,3-dimethylbut-1-ene
PubChem CID5462937
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-1-ethoxy-3,3-dimethylbut-1-ene
SMILESCCO/C=C/C(C)(C)C
InChIInChI=1S/C8H16O/c1-5-9-7-6-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InChIKeyWSGATPNSJGOYHJ-VOTSOKGWSA-N
XLogP2.58
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 ≤ 52.58
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

2-ethoxyethenyl-λ2-stannane
CID 173035861
(3E)-1,4-diethoxybuta-1,3-diene
CID 173199605
1-(2-ethoxyethenoxy)propane
CID 154115390
[(E)-3,3-dimethylbut-1-enoxy]-triethylsilane
CID 101180762
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
(1Z)-1-ethoxypenta-1,4-diene
CID 173218089
butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162269346
(1E,3E)-1-chloro-4-ethoxybuta-1,3-diene
CID 142586184
(Z)-1-ethoxypent-1-ene
CID 12512190
3-ethoxyprop-2-enylsilane
CID 150379545
(E)-2,2-dimethylhex-3-ene
CID 5357261
1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene
CID 134208767

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-3,3-dimethylbut-1-ene?
The IUPAC name of (E)-1-ethoxy-3,3-dimethylbut-1-ene (CID 5462937) is (E)-1-ethoxy-3,3-dimethylbut-1-ene.
What is the SMILES notation for (E)-1-ethoxy-3,3-dimethylbut-1-ene?
The canonical SMILES for (E)-1-ethoxy-3,3-dimethylbut-1-ene is CCO/C=C/C(C)(C)C.
What is the InChIKey of (E)-1-ethoxy-3,3-dimethylbut-1-ene?
The InChIKey is WSGATPNSJGOYHJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16O/c1-5-9-7-6-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-1-ethoxy-3,3-dimethylbut-1-ene?
(E)-1-ethoxy-3,3-dimethylbut-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-3,3-dimethylbut-1-ene is sourced from PubChem (CID 5462937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).