11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol

C16H26O3 — CID 71418977

IUPAC11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol
SMILESC=CCCC(O)C#CCCCCOC1CCCCO1
InChIInChI=1S/C16H26O3/c1-2-3-10-15(17)11-6-4-5-8-13-18-16-12-7-9-14-19-16/h2,15-17H,1,3-5,7-10,12-14H2
InChIKeyPHCFOROPPCANSC-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.03
Rot. Bonds8

About 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol

11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol (PubChem CID 71418977) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol.

Molecular Properties

Compound Name11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol
PubChem CID71418977
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol
SMILESC=CCCC(O)C#CCCCCOC1CCCCO1
InChIInChI=1S/C16H26O3/c1-2-3-10-15(17)11-6-4-5-8-13-18-16-12-7-9-14-19-16/h2,15-17H,1,3-5,7-10,12-14H2
InChIKeyPHCFOROPPCANSC-UHFFFAOYSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol?
The IUPAC name of 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol (CID 71418977) is 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol.
What is the SMILES notation for 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol?
The canonical SMILES for 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol is C=CCCC(O)C#CCCCCOC1CCCCO1.
What is the InChIKey of 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol?
The InChIKey is PHCFOROPPCANSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-10-15(17)11-6-4-5-8-13-18-16-12-7-9-14-19-16/h2,15-17H,1,3-5,7-10,12-14H2.
What are the key properties of 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol?
11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol has a molecular weight of 266.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(oxan-2-yloxy)undec-1-en-6-yn-5-ol is sourced from PubChem (CID 71418977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).