(3E)-3-pentoxyhexa-1,3,5-triene

C11H18O — CID 143473130

IUPAC(3E)-3-pentoxyhexa-1,3,5-triene
SMILESC=C/C=C(\C=C)OCCCCC
InChIInChI=1S/C11H18O/c1-4-7-8-10-12-11(6-3)9-5-2/h5-6,9H,2-4,7-8,10H2,1H3/b11-9+
InChIKeyNBLGLUGLTKSTJR-PKNBQFBNSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds7

About (3E)-3-pentoxyhexa-1,3,5-triene

(3E)-3-pentoxyhexa-1,3,5-triene (PubChem CID 143473130) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E)-3-pentoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-3-pentoxyhexa-1,3,5-triene
PubChem CID143473130
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E)-3-pentoxyhexa-1,3,5-triene
SMILESC=C/C=C(\C=C)OCCCCC
InChIInChI=1S/C11H18O/c1-4-7-8-10-12-11(6-3)9-5-2/h5-6,9H,2-4,7-8,10H2,1H3/b11-9+
InChIKeyNBLGLUGLTKSTJR-PKNBQFBNSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentyloxyphenylmagnesium bromide, 0.50 M in THF
CID 11818007
3-Ethoxypenta-1,3-diene
CID 54545929
ethane;(3E)-3-(4,4,4-trifluorobutoxy)hexa-1,3,5-triene
CID 144915870
(3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene
CID 143101330
1-(3-Ethoxyprop-2-enoxy)pentane
CID 178416702
4-n-Hexyloxyphenylmagnesium bromide, 0.50 M in THF
CID 11380506
4-Hexyloxyphenyllithium
CID 13710169
(3E)-3-ethoxypenta-1,3-diene
CID 21515825
(3Z)-3-ethoxypenta-1,3-diene
CID 21721231
3-Butoxyhexa-2,4-diene
CID 53843082
3-Ethoxyhexa-2,4-diene
CID 54378506
1-bromo-5-[(3Z)-penta-1,3-dien-3-yl]oxypentane
CID 58983776

Frequently Asked Questions

What is the IUPAC name of (3E)-3-pentoxyhexa-1,3,5-triene?
The IUPAC name of (3E)-3-pentoxyhexa-1,3,5-triene (CID 143473130) is (3E)-3-pentoxyhexa-1,3,5-triene.
What is the SMILES notation for (3E)-3-pentoxyhexa-1,3,5-triene?
The canonical SMILES for (3E)-3-pentoxyhexa-1,3,5-triene is C=C/C=C(\C=C)OCCCCC.
What is the InChIKey of (3E)-3-pentoxyhexa-1,3,5-triene?
The InChIKey is NBLGLUGLTKSTJR-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H18O/c1-4-7-8-10-12-11(6-3)9-5-2/h5-6,9H,2-4,7-8,10H2,1H3/b11-9+.
What are the key properties of (3E)-3-pentoxyhexa-1,3,5-triene?
(3E)-3-pentoxyhexa-1,3,5-triene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-pentoxyhexa-1,3,5-triene is sourced from PubChem (CID 143473130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).