8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol

C10H14O3 — CID 11105985

IUPAC8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC#CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1,11H,3-8H2
InChIKeyGBKHOSZWZAISIU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.67
Rot. Bonds

About 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol

8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 11105985) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID11105985
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC#CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1,11H,3-8H2
InChIKeyGBKHOSZWZAISIU-UHFFFAOYSA-N
XLogP0.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 11105985) is 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol is C#CC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is GBKHOSZWZAISIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1,11H,3-8H2.
What are the key properties of 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol?
8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 182.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 11105985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).