5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol

C13H18O3 — CID 10585134

IUPAC5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
SMILESC#CC(O)CCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C13H18O3/c1-2-12(14)4-3-11-5-7-13(8-6-11)15-9-10-16-13/h1,5,12,14H,3-4,6-10H2
InChIKeyALHWFWJXSPRYJN-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.61
Rot. Bonds3

About 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol

5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol (PubChem CID 10585134) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
PubChem CID10585134
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
SMILESC#CC(O)CCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C13H18O3/c1-2-12(14)4-3-11-5-7-13(8-6-11)15-9-10-16-13/h1,5,12,14H,3-4,6-10H2
InChIKeyALHWFWJXSPRYJN-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
7-Methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
CID 10797572
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642
2-(7-Methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol
CID 10442720
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,6-dimethyl-3-methylidenehept-5-en-1-ol
CID 46895205
5-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)pent-1-yn-3-ol
CID 56929969
8-(But-3-yn-1-yl)-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 71370015
3-(1,4-Dioxaspiro[4.5]decan-8-ylidene)propan-1-ol
CID 77174844
(Z)-3-[[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hept-2-en-4,6-diyn-1-ol
CID 101461400
1-(Cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 131227534

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol (CID 10585134) is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol is C#CC(O)CCC1=CCC2(CC1)OCCO2.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol?
The InChIKey is ALHWFWJXSPRYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-12(14)4-3-11-5-7-13(8-6-11)15-9-10-16-13/h1,5,12,14H,3-4,6-10H2.
What are the key properties of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol?
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol has a molecular weight of 222.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol is sourced from PubChem (CID 10585134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).