2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene

C13H18O2 — CID 152587523

IUPAC2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCCCC#CCC1C=CC2(CCCO2)O1
InChIInChI=1S/C13H18O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h8,10,12H,2-3,6-7,9,11H2,1H3
InChIKeyYUTOZHRZPUZYSI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.64
Rot. Bonds2

About 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene

2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 152587523) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID152587523
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCCCC#CCC1C=CC2(CCCO2)O1
InChIInChI=1S/C13H18O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h8,10,12H,2-3,6-7,9,11H2,1H3
InChIKeyYUTOZHRZPUZYSI-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tonghaosu
CID 5352496
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
CID 103031
Tonghaosu, (Z)-
CID 5352494
(2E,5R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 44575220
(2Z,5R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76960595
(2Z,5S)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76960596
(2E,5S)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76961451
(Z)-2-(Hepta-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene
CID 91692753
(E)-2-(Hepta-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene
CID 91734835
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene
CID 91751298
Spiro-ether
CID 91753435
1,6-Dioxaspiro[4.4]non-3-ene
CID 10374471

Frequently Asked Questions

What is the IUPAC name of 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene (CID 152587523) is 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene is CCCC#CCC1C=CC2(CCCO2)O1.
What is the InChIKey of 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is YUTOZHRZPUZYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h8,10,12H,2-3,6-7,9,11H2,1H3.
What are the key properties of 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene?
2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 206.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-ynyl-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 152587523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).