10-ethynyl-9-methylspiro[4.5]dec-9-ene

C13H18 — CID 91169790

IUPAC10-ethynyl-9-methylspiro[4.5]dec-9-ene
SMILESC#CC1=C(C)CCCC12CCCC2
InChIInChI=1S/C13H18/c1-3-12-11(2)7-6-10-13(12)8-4-5-9-13/h1H,4-10H2,2H3
InChIKeyTXSXOGFSMAKVEX-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.68
Rot. Bonds

About 10-ethynyl-9-methylspiro[4.5]dec-9-ene

10-ethynyl-9-methylspiro[4.5]dec-9-ene (PubChem CID 91169790) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 10-ethynyl-9-methylspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name10-ethynyl-9-methylspiro[4.5]dec-9-ene
PubChem CID91169790
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name10-ethynyl-9-methylspiro[4.5]dec-9-ene
SMILESC#CC1=C(C)CCCC12CCCC2
InChIInChI=1S/C13H18/c1-3-12-11(2)7-6-10-13(12)8-4-5-9-13/h1H,4-10H2,2H3
InChIKeyTXSXOGFSMAKVEX-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 10-ethynyl-9-methylspiro[4.5]dec-9-ene?
The IUPAC name of 10-ethynyl-9-methylspiro[4.5]dec-9-ene (CID 91169790) is 10-ethynyl-9-methylspiro[4.5]dec-9-ene.
What is the SMILES notation for 10-ethynyl-9-methylspiro[4.5]dec-9-ene?
The canonical SMILES for 10-ethynyl-9-methylspiro[4.5]dec-9-ene is C#CC1=C(C)CCCC12CCCC2.
What is the InChIKey of 10-ethynyl-9-methylspiro[4.5]dec-9-ene?
The InChIKey is TXSXOGFSMAKVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-12-11(2)7-6-10-13(12)8-4-5-9-13/h1H,4-10H2,2H3.
What are the key properties of 10-ethynyl-9-methylspiro[4.5]dec-9-ene?
10-ethynyl-9-methylspiro[4.5]dec-9-ene has a molecular weight of 174.29 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethynyl-9-methylspiro[4.5]dec-9-ene is sourced from PubChem (CID 91169790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).