spiro[4.5]dec-3-ene

C10H16 — CID 564546

IUPACspiro[4.5]dec-3-ene
SMILESC1=CC2(CC1)CCCCC2
InChIInChI=1S/C10H16/c1-2-6-10(7-3-1)8-4-5-9-10/h4,8H,1-3,5-7,9H2
InChIKeyOFWSEJMRMVTYFQ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.29
Rot. Bonds

About spiro[4.5]dec-3-ene

spiro[4.5]dec-3-ene (PubChem CID 564546) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is spiro[4.5]dec-3-ene.

Molecular Properties

Compound Namespiro[4.5]dec-3-ene
PubChem CID564546
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Namespiro[4.5]dec-3-ene
SMILESC1=CC2(CC1)CCCCC2
InChIInChI=1S/C10H16/c1-2-6-10(7-3-1)8-4-5-9-10/h4,8H,1-3,5-7,9H2
InChIKeyOFWSEJMRMVTYFQ-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[4.5]dec-3-ene?
The IUPAC name of spiro[4.5]dec-3-ene (CID 564546) is spiro[4.5]dec-3-ene.
What is the SMILES notation for spiro[4.5]dec-3-ene?
The canonical SMILES for spiro[4.5]dec-3-ene is C1=CC2(CC1)CCCCC2.
What is the InChIKey of spiro[4.5]dec-3-ene?
The InChIKey is OFWSEJMRMVTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-6-10(7-3-1)8-4-5-9-10/h4,8H,1-3,5-7,9H2.
What are the key properties of spiro[4.5]dec-3-ene?
spiro[4.5]dec-3-ene has a molecular weight of 136.24 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 spiro[4.5]dec-3-ene is sourced from PubChem (CID 564546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).