(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene

C17H28O — CID 11627971

IUPAC(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene
SMILESC=CCC#CC(CC)O[C@H](C=C)CCCCCC
InChIInChI=1S/C17H28O/c1-5-9-11-13-15-17(8-4)18-16(7-3)14-12-10-6-2/h6,8,16-17H,2,4-5,7,9-11,13,15H2,1,3H3/t16?,17-/m1/s1
InChIKeySXPIIAAOUFCSJJ-ZYMOGRSISA-N
MW248.41 g/mol
LogP4.89
Rot. Bonds10

About (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene

(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene (PubChem CID 11627971) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene.

Molecular Properties

Compound Name(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene
PubChem CID11627971
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene
SMILESC=CCC#CC(CC)O[C@H](C=C)CCCCCC
InChIInChI=1S/C17H28O/c1-5-9-11-13-15-17(8-4)18-16(7-3)14-12-10-6-2/h6,8,16-17H,2,4-5,7,9-11,13,15H2,1,3H3/t16?,17-/m1/s1
InChIKeySXPIIAAOUFCSJJ-ZYMOGRSISA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.89
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Nonen-3-ol, methyl ether
CID 12563924
2-Ethenyl-3-octyloxirane
CID 11332855
4-Prop-2-enoxynon-1-ene
CID 11480845
(2S,3S)-2-ethenyl-3-heptyloxirane
CID 57702326
3-Methoxyundec-1-ene
CID 71428313
3-Methoxydodec-1-ene
CID 134895994
(E)-1-fluoro-3-[(E)-1-fluorotetradec-1-en-3-yl]oxytetradec-1-ene
CID 132012109
1-Fluoro-3-(1-fluorotetradec-1-en-3-yloxy)tetradec-1-ene
CID 132012110
(2S,3R)-2-decyl-3-ethenyloxirane
CID 10608538
(2R,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne
CID 11641936
(2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne
CID 11649108
(2R,3S)-2-dodecyl-3-ethenyloxirane
CID 11736566

Frequently Asked Questions

What is the IUPAC name of (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene?
The IUPAC name of (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene (CID 11627971) is (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene.
What is the SMILES notation for (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene?
The canonical SMILES for (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene is C=CCC#CC(CC)O[C@H](C=C)CCCCCC.
What is the InChIKey of (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene?
The InChIKey is SXPIIAAOUFCSJJ-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H28O/c1-5-9-11-13-15-17(8-4)18-16(7-3)14-12-10-6-2/h6,8,16-17H,2,4-5,7,9-11,13,15H2,1,3H3/t16?,17-/m1/s1.
What are the key properties of (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene?
(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene has a molecular weight of 248.41 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene is sourced from PubChem (CID 11627971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).