(E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene

C15H30O2 — CID 118297175

IUPAC(E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene
SMILESCCCCOCCCC/C=C/OCCC(C)C
InChIInChI=1S/C15H30O2/c1-4-5-11-16-12-8-6-7-9-13-17-14-10-15(2)3/h9,13,15H,4-8,10-12,14H2,1-3H3/b13-9+
InChIKeyDWGWOHLXSCJVNT-UKTHLTGXSA-N
MW242.40 g/mol
LogP4.55
Rot. Bonds12

About (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene

(E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene (PubChem CID 118297175) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene.

Molecular Properties

Compound Name(E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene
PubChem CID118297175
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene
SMILESCCCCOCCCC/C=C/OCCC(C)C
InChIInChI=1S/C15H30O2/c1-4-5-11-16-12-8-6-7-9-13-17-14-10-15(2)3/h9,13,15H,4-8,10-12,14H2,1-3H3/b13-9+
InChIKeyDWGWOHLXSCJVNT-UKTHLTGXSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene?
The IUPAC name of (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene (CID 118297175) is (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene.
What is the SMILES notation for (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene?
The canonical SMILES for (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene is CCCCOCCCC/C=C/OCCC(C)C.
What is the InChIKey of (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene?
The InChIKey is DWGWOHLXSCJVNT-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-5-11-16-12-8-6-7-9-13-17-14-10-15(2)3/h9,13,15H,4-8,10-12,14H2,1-3H3/b13-9+.
What are the key properties of (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene?
(E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene has a molecular weight of 242.40 g/mol, XLogP of 4.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-butoxy-1-(3-methylbutoxy)hex-1-ene is sourced from PubChem (CID 118297175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).