(2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne

C15H24O — CID 11649108

IUPAC(2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne
SMILESCCCCCC[C@H]1/C=C\CC#C[C@H](CC)O1
InChIInChI=1S/C15H24O/c1-3-5-6-8-12-15-13-10-7-9-11-14(4-2)16-15/h10,13-15H,3-8,12H2,1-2H3/b13-10-/t14-,15-/m0/s1
InChIKeyZANLEAABOSBZJU-GTISMEIMSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds6

About (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne

(2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne (PubChem CID 11649108) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne.

Molecular Properties

Compound Name(2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne
PubChem CID11649108
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne
SMILESCCCCCC[C@H]1/C=C\CC#C[C@H](CC)O1
InChIInChI=1S/C15H24O/c1-3-5-6-8-12-15-13-10-7-9-11-14(4-2)16-15/h10,13-15H,3-8,12H2,1-2H3/b13-10-/t14-,15-/m0/s1
InChIKeyZANLEAABOSBZJU-GTISMEIMSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
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'}

Analyze (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne 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

(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
CID 163189087
2-Hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran
CID 10943714
2-Hexyl-3-prop-2-enyl-2,5-dihydrofuran
CID 11030687
2-[(E)-dodec-5-en-7-yn-5-yl]oxolane
CID 101908419
2-Hexyl-2,5-dihydrofuran
CID 10855696
(1Z)-3-methoxycyclooctene
CID 12522564
(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene
CID 12794158
2-Heptyl-2,5-dihydrofuran
CID 57702310
2-heptyl-3,6-dihydro-2H-pyran
CID 11805388
(E)-4-ethenoxyundec-2-ene
CID 10845578
6-heptyl-3,6-dihydro-2H-pyran
CID 11030458
2-Nonyl-2,5-dihydrofuran
CID 11217821

Frequently Asked Questions

What is the IUPAC name of (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne?
The IUPAC name of (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne (CID 11649108) is (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne.
What is the SMILES notation for (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne?
The canonical SMILES for (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne is CCCCCC[C@H]1/C=C\CC#C[C@H](CC)O1.
What is the InChIKey of (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne?
The InChIKey is ZANLEAABOSBZJU-GTISMEIMSA-N. The full InChI is InChI=1S/C15H24O/c1-3-5-6-8-12-15-13-10-7-9-11-14(4-2)16-15/h10,13-15H,3-8,12H2,1-2H3/b13-10-/t14-,15-/m0/s1.
What are the key properties of (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne?
(2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne has a molecular weight of 220.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6Z,8S)-2-ethyl-8-hexyl-1-oxacyclooct-6-en-3-yne is sourced from PubChem (CID 11649108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).