(E)-8-butoxynon-3-ene;ethane

C15H32O — CID 143984498

IUPAC(E)-8-butoxynon-3-ene;ethane
SMILESCC.CC/C=C/CCCC(C)OCCCC
InChIInChI=1S/C13H26O.C2H6/c1-4-6-8-9-10-11-13(3)14-12-7-5-2;1-2/h6,8,13H,4-5,7,9-12H2,1-3H3;1-2H3/b8-6+;
InChIKeyAWIUGHUHBJMNFO-WVLIHFOGSA-N
MW228.42 g/mol
LogP5.35
Rot. Bonds9

About (E)-8-butoxynon-3-ene;ethane

(E)-8-butoxynon-3-ene;ethane (PubChem CID 143984498) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is (E)-8-butoxynon-3-ene;ethane.

Molecular Properties

Compound Name(E)-8-butoxynon-3-ene;ethane
PubChem CID143984498
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name(E)-8-butoxynon-3-ene;ethane
SMILESCC.CC/C=C/CCCC(C)OCCCC
InChIInChI=1S/C13H26O.C2H6/c1-4-6-8-9-10-11-13(3)14-12-7-5-2;1-2/h6,8,13H,4-5,7,9-12H2,1-3H3;1-2H3/b8-6+;
InChIKeyAWIUGHUHBJMNFO-WVLIHFOGSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.42
LogP ≤ 55.35
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'}

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Related Compounds

1,2-Epoxy-5,9-cyclododecadiene
CID 5357430
(5Z,8Z,11Z,14Z)-1-Isopropoxy-icosa-5,8,11,14-tetraene
CID 10830440
(5Z,8Z,11Z,14Z)-1-(2-Fluoro-ethoxy)-icosa-5,8,11,14-tetraene
CID 10830719
(5Z,8Z,11Z,14Z)-1-Methoxy-icosa-5,8,11,14-tetraene
CID 10518636
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
(5Z,8Z,11Z,14Z)-1-Isobutoxy-icosa-5,8,11,14-tetraene
CID 10521551
(5Z,8Z,11Z,14Z)-1-sec-Butoxy-icosa-5,8,11,14-tetraene
CID 10569636
(5Z,8Z,11Z,14Z)-1-Allyloxy-icosa-5,8,11,14-tetraene
CID 10616456
(5Z,8Z,11Z,14Z)-1-Butoxy-icosa-5,8,11,14-tetraene
CID 10688959
(5Z,8Z,11Z,14Z)-1-Propoxy-icosa-5,8,11,14-tetraene
CID 10711666
(5Z,8Z,11Z,14Z)-1-Prop-2-ynyloxy-icosa-5,8,11,14-tetraene
CID 10782537
(5Z,8Z,11Z,14Z)-1-Ethoxy-icosa-5,8,11,14-tetraene
CID 10853039

Frequently Asked Questions

What is the IUPAC name of (E)-8-butoxynon-3-ene;ethane?
The IUPAC name of (E)-8-butoxynon-3-ene;ethane (CID 143984498) is (E)-8-butoxynon-3-ene;ethane.
What is the SMILES notation for (E)-8-butoxynon-3-ene;ethane?
The canonical SMILES for (E)-8-butoxynon-3-ene;ethane is CC.CC/C=C/CCCC(C)OCCCC.
What is the InChIKey of (E)-8-butoxynon-3-ene;ethane?
The InChIKey is AWIUGHUHBJMNFO-WVLIHFOGSA-N. The full InChI is InChI=1S/C13H26O.C2H6/c1-4-6-8-9-10-11-13(3)14-12-7-5-2;1-2/h6,8,13H,4-5,7,9-12H2,1-3H3;1-2H3/b8-6+;.
What are the key properties of (E)-8-butoxynon-3-ene;ethane?
(E)-8-butoxynon-3-ene;ethane has a molecular weight of 228.42 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-butoxynon-3-ene;ethane is sourced from PubChem (CID 143984498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).