8-methylspiro[2.5]octane

C9H16 — CID 15329636

IUPAC8-methylspiro[2.5]octane
SMILESCC1CCCCC12CC2
InChIInChI=1S/C9H16/c1-8-4-2-3-5-9(8)6-7-9/h8H,2-7H2,1H3
InChIKeyTUJFDRXASIGQCW-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds

About 8-methylspiro[2.5]octane

8-methylspiro[2.5]octane (PubChem CID 15329636) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 8-methylspiro[2.5]octane.

Molecular Properties

Compound Name8-methylspiro[2.5]octane
PubChem CID15329636
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name8-methylspiro[2.5]octane
SMILESCC1CCCCC12CC2
InChIInChI=1S/C9H16/c1-8-4-2-3-5-9(8)6-7-9/h8H,2-7H2,1H3
InChIKeyTUJFDRXASIGQCW-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[2.5]octane?
The IUPAC name of 8-methylspiro[2.5]octane (CID 15329636) is 8-methylspiro[2.5]octane.
What is the SMILES notation for 8-methylspiro[2.5]octane?
The canonical SMILES for 8-methylspiro[2.5]octane is CC1CCCCC12CC2.
What is the InChIKey of 8-methylspiro[2.5]octane?
The InChIKey is TUJFDRXASIGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8-4-2-3-5-9(8)6-7-9/h8H,2-7H2,1H3.
What are the key properties of 8-methylspiro[2.5]octane?
8-methylspiro[2.5]octane has a molecular weight of 124.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[2.5]octane is sourced from PubChem (CID 15329636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).