6-methylspiro[2.3]hex-5-ene

C7H10 — CID 102391250

IUPAC6-methylspiro[2.3]hex-5-ene
SMILESCC1=CCC12CC2
InChIInChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h2H,3-5H2,1H3
InChIKeyWNOQKOAKNDNVFB-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.12
Rot. Bonds

About 6-methylspiro[2.3]hex-5-ene

6-methylspiro[2.3]hex-5-ene (PubChem CID 102391250) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 6-methylspiro[2.3]hex-5-ene.

Molecular Properties

Compound Name6-methylspiro[2.3]hex-5-ene
PubChem CID102391250
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name6-methylspiro[2.3]hex-5-ene
SMILESCC1=CCC12CC2
InChIInChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h2H,3-5H2,1H3
InChIKeyWNOQKOAKNDNVFB-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.12
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 6-methylspiro[2.3]hex-5-ene?
The IUPAC name of 6-methylspiro[2.3]hex-5-ene (CID 102391250) is 6-methylspiro[2.3]hex-5-ene.
What is the SMILES notation for 6-methylspiro[2.3]hex-5-ene?
The canonical SMILES for 6-methylspiro[2.3]hex-5-ene is CC1=CCC12CC2.
What is the InChIKey of 6-methylspiro[2.3]hex-5-ene?
The InChIKey is WNOQKOAKNDNVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h2H,3-5H2,1H3.
What are the key properties of 6-methylspiro[2.3]hex-5-ene?
6-methylspiro[2.3]hex-5-ene has a molecular weight of 94.16 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[2.3]hex-5-ene is sourced from PubChem (CID 102391250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).