10-ethynylspiro[4.5]dec-9-ene

C12H16 — CID 86647581

IUPAC10-ethynylspiro[4.5]dec-9-ene
SMILESC#CC1=CCCCC12CCCC2
InChIInChI=1S/C12H16/c1-2-11-7-3-4-8-12(11)9-5-6-10-12/h1,7H,3-6,8-10H2
InChIKeyAUYQDACIBUCURS-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.29
Rot. Bonds

About 10-ethynylspiro[4.5]dec-9-ene

10-ethynylspiro[4.5]dec-9-ene (PubChem CID 86647581) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 10-ethynylspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name10-ethynylspiro[4.5]dec-9-ene
PubChem CID86647581
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name10-ethynylspiro[4.5]dec-9-ene
SMILESC#CC1=CCCCC12CCCC2
InChIInChI=1S/C12H16/c1-2-11-7-3-4-8-12(11)9-5-6-10-12/h1,7H,3-6,8-10H2
InChIKeyAUYQDACIBUCURS-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.29
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-ethynylspiro[4.5]dec-9-ene?
The IUPAC name of 10-ethynylspiro[4.5]dec-9-ene (CID 86647581) is 10-ethynylspiro[4.5]dec-9-ene.
What is the SMILES notation for 10-ethynylspiro[4.5]dec-9-ene?
The canonical SMILES for 10-ethynylspiro[4.5]dec-9-ene is C#CC1=CCCCC12CCCC2.
What is the InChIKey of 10-ethynylspiro[4.5]dec-9-ene?
The InChIKey is AUYQDACIBUCURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-11-7-3-4-8-12(11)9-5-6-10-12/h1,7H,3-6,8-10H2.
What are the key properties of 10-ethynylspiro[4.5]dec-9-ene?
10-ethynylspiro[4.5]dec-9-ene has a molecular weight of 160.26 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethynylspiro[4.5]dec-9-ene is sourced from PubChem (CID 86647581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).