(E)-1-butoxy-2-methylbut-2-ene

C9H18O — CID 5366207

IUPAC(E)-1-butoxy-2-methylbut-2-ene
SMILESC/C=C(\C)COCCCC
InChIInChI=1S/C9H18O/c1-4-6-7-10-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+
InChIKeyCKIDWIHUDHANPZ-WEVVVXLNSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds5

About (E)-1-butoxy-2-methylbut-2-ene

(E)-1-butoxy-2-methylbut-2-ene (PubChem CID 5366207) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-1-butoxy-2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-1-butoxy-2-methylbut-2-ene
PubChem CID5366207
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-1-butoxy-2-methylbut-2-ene
SMILESC/C=C(\C)COCCCC
InChIInChI=1S/C9H18O/c1-4-6-7-10-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+
InChIKeyCKIDWIHUDHANPZ-WEVVVXLNSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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'}

Analyze (E)-1-butoxy-2-methylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylbut-2-enoxy)ethanol
CID 87196031
4-hexoxy-3-methylbut-2-enoic acid
CID 77005513
1-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-butoxybutane;propan-2-one
CID 18424800
butoxymethanol;ethane
CID 145241108
ethane;1-ethoxybutane
CID 143206406
acetic acid;1-butoxybutane
CID 22256220
2-butoxyethanethioamide
CID 43267695
3-butoxyprop-1-en-2-olate
CID 150634634
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
1-hexadecoxypropan-2-one
CID 15701879

Frequently Asked Questions

What is the IUPAC name of (E)-1-butoxy-2-methylbut-2-ene?
The IUPAC name of (E)-1-butoxy-2-methylbut-2-ene (CID 5366207) is (E)-1-butoxy-2-methylbut-2-ene.
What is the SMILES notation for (E)-1-butoxy-2-methylbut-2-ene?
The canonical SMILES for (E)-1-butoxy-2-methylbut-2-ene is C/C=C(\C)COCCCC.
What is the InChIKey of (E)-1-butoxy-2-methylbut-2-ene?
The InChIKey is CKIDWIHUDHANPZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-7-10-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+.
What are the key properties of (E)-1-butoxy-2-methylbut-2-ene?
(E)-1-butoxy-2-methylbut-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-butoxy-2-methylbut-2-ene is sourced from PubChem (CID 5366207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).