(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol

C14H18O2 — CID 163034272

IUPAC(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol
SMILESCC[C@H](O)C#CC#C/C=C/[C@H]1CCCCO1
InChIInChI=1S/C14H18O2/c1-2-13(15)9-5-3-4-6-10-14-11-7-8-12-16-14/h6,10,13-15H,2,7-8,11-12H2,1H3/b10-6+/t13-,14-/m0/s1
InChIKeyUYLHCUVJHXMJIO-DXHQHAPDSA-N
MW218.30 g/mol
LogP1.89
Rot. Bonds2

About (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol

(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol (PubChem CID 163034272) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol.

Molecular Properties

Compound Name(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol
PubChem CID163034272
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol
SMILESCC[C@H](O)C#CC#C/C=C/[C@H]1CCCCO1
InChIInChI=1S/C14H18O2/c1-2-13(15)9-5-3-4-6-10-14-11-7-8-12-16-14/h6,10,13-15H,2,7-8,11-12H2,1H3/b10-6+/t13-,14-/m0/s1
InChIKeyUYLHCUVJHXMJIO-DXHQHAPDSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(8E)-9-(oxan-2-yl)nona-1,8-dien-4,6-diyn-3-ol
CID 101416718
9-(oxan-2-yl)nona-2,8-dien-4,6-diynyl acetate
CID 162900625
2-but-1-enyloxane
CID 54120972
(2S,3R)-2-[(E)-hept-1-en-3,5-diynyl]oxan-3-ol
CID 5281151
2-nona-1,7-dien-3,5-diynyloxan-3-ol
CID 551494
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
ethyl (E)-3-[(2R)-oxolan-2-yl]prop-2-enoate
CID 102285322
2-[(Z)-pent-1-enyl]oxolane
CID 11083976
methyl (Z)-4-(oxan-2-yl)but-3-enoate
CID 117267638
2-[(E)-prop-1-enyl]oxolane
CID 12508233
2-buta-1,3-dienyloxane
CID 150390930
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589

Frequently Asked Questions

What is the IUPAC name of (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol?
The IUPAC name of (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol (CID 163034272) is (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol.
What is the SMILES notation for (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol?
The canonical SMILES for (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol is CC[C@H](O)C#CC#C/C=C/[C@H]1CCCCO1.
What is the InChIKey of (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol?
The InChIKey is UYLHCUVJHXMJIO-DXHQHAPDSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-13(15)9-5-3-4-6-10-14-11-7-8-12-16-14/h6,10,13-15H,2,7-8,11-12H2,1H3/b10-6+/t13-,14-/m0/s1.
What are the key properties of (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol?
(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol has a molecular weight of 218.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol is sourced from PubChem (CID 163034272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).