8-ethynylspiro[2.5]octane

C10H14 — CID 154550645

IUPAC8-ethynylspiro[2.5]octane
SMILESC#CC1CCCCC12CC2
InChIInChI=1S/C10H14/c1-2-9-5-3-4-6-10(9)7-8-10/h1,9H,3-8H2
InChIKeyGPCGLMGSDXTVIO-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.59
Rot. Bonds

About 8-ethynylspiro[2.5]octane

8-ethynylspiro[2.5]octane (PubChem CID 154550645) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 8-ethynylspiro[2.5]octane.

Molecular Properties

Compound Name8-ethynylspiro[2.5]octane
PubChem CID154550645
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name8-ethynylspiro[2.5]octane
SMILESC#CC1CCCCC12CC2
InChIInChI=1S/C10H14/c1-2-9-5-3-4-6-10(9)7-8-10/h1,9H,3-8H2
InChIKeyGPCGLMGSDXTVIO-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(+/-)-1-Ethynylbicyclo[4.1.0]heptane
CID 15856651
4-(1-Ethynylcyclopropyl)-1,1-difluorocyclohexane
CID 165969845
1-Ethynyltricyclo[4.1.0.02,7]heptane
CID 14662038
1,7-Diethynyltricyclo[4.1.0.02,7]heptane
CID 14662044
2-Ethynyl-1,3,4-trimethyl-5-(2-methyl-2-propan-2-ylcyclopropyl)cyclohexane
CID 123486531
1-Methyl-2-(2-methylbut-3-yn-2-yl)cyclohexane
CID 123934843
cis-(2R,3S)-2-ethynyl-1,1,3-trimethylcyclohexane
CID 143799857
Azane;(1-ethynylcyclopropyl)methylcyclohexane;molecular hydrogen
CID 145259249
6-Ethynylspiro[2.5]octane
CID 153655637
(8R)-8-ethynylspiro[2.5]octane
CID 153688117
(1aS)-3,4-didehydro-1,1a,2,4a,5,6,7,8-octahydrocyclopropa[j]naphthalene
CID 163658163
(2-Ethynylcyclopropyl)cyclohexane
CID 11062536

Frequently Asked Questions

What is the IUPAC name of 8-ethynylspiro[2.5]octane?
The IUPAC name of 8-ethynylspiro[2.5]octane (CID 154550645) is 8-ethynylspiro[2.5]octane.
What is the SMILES notation for 8-ethynylspiro[2.5]octane?
The canonical SMILES for 8-ethynylspiro[2.5]octane is C#CC1CCCCC12CC2.
What is the InChIKey of 8-ethynylspiro[2.5]octane?
The InChIKey is GPCGLMGSDXTVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-9-5-3-4-6-10(9)7-8-10/h1,9H,3-8H2.
What are the key properties of 8-ethynylspiro[2.5]octane?
8-ethynylspiro[2.5]octane has a molecular weight of 134.22 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynylspiro[2.5]octane is sourced from PubChem (CID 154550645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).