2-nona-1,7-dien-3,5-diynyloxan-3-ol

C14H16O2 — CID 551494

IUPAC2-nona-1,7-dien-3,5-diynyloxan-3-ol
SMILESCC=CC#CC#CC=CC1OCCCC1O
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h2-3,8,11,13-15H,9-10,12H2,1H3
InChIKeyHAMPDEKVXLFKLK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.67
Rot. Bonds1

About 2-nona-1,7-dien-3,5-diynyloxan-3-ol

2-nona-1,7-dien-3,5-diynyloxan-3-ol (PubChem CID 551494) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-nona-1,7-dien-3,5-diynyloxan-3-ol.

Molecular Properties

Compound Name2-nona-1,7-dien-3,5-diynyloxan-3-ol
PubChem CID551494
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-nona-1,7-dien-3,5-diynyloxan-3-ol
SMILESCC=CC#CC#CC=CC1OCCCC1O
InChIInChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h2-3,8,11,13-15H,9-10,12H2,1H3
InChIKeyHAMPDEKVXLFKLK-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nona-1,7-dien-3,5-diynyloxan-3-ol?
The IUPAC name of 2-nona-1,7-dien-3,5-diynyloxan-3-ol (CID 551494) is 2-nona-1,7-dien-3,5-diynyloxan-3-ol.
What is the SMILES notation for 2-nona-1,7-dien-3,5-diynyloxan-3-ol?
The canonical SMILES for 2-nona-1,7-dien-3,5-diynyloxan-3-ol is CC=CC#CC#CC=CC1OCCCC1O.
What is the InChIKey of 2-nona-1,7-dien-3,5-diynyloxan-3-ol?
The InChIKey is HAMPDEKVXLFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h2-3,8,11,13-15H,9-10,12H2,1H3.
What are the key properties of 2-nona-1,7-dien-3,5-diynyloxan-3-ol?
2-nona-1,7-dien-3,5-diynyloxan-3-ol has a molecular weight of 216.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nona-1,7-dien-3,5-diynyloxan-3-ol is sourced from PubChem (CID 551494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).