7-methylspiro[2.5]octane

C9H16 — CID 21021869

IUPAC7-methylspiro[2.5]octane
SMILESCC1CCCC2(CC2)C1
InChIInChI=1S/C9H16/c1-8-3-2-4-9(7-8)5-6-9/h8H,2-7H2,1H3
InChIKeyVKZYYOJPSOQYDQ-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds

About 7-methylspiro[2.5]octane

7-methylspiro[2.5]octane (PubChem CID 21021869) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 7-methylspiro[2.5]octane.

Molecular Properties

Compound Name7-methylspiro[2.5]octane
PubChem CID21021869
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name7-methylspiro[2.5]octane
SMILESCC1CCCC2(CC2)C1
InChIInChI=1S/C9H16/c1-8-3-2-4-9(7-8)5-6-9/h8H,2-7H2,1H3
InChIKeyVKZYYOJPSOQYDQ-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 7-methylspiro[2.5]octane?
The IUPAC name of 7-methylspiro[2.5]octane (CID 21021869) is 7-methylspiro[2.5]octane.
What is the SMILES notation for 7-methylspiro[2.5]octane?
The canonical SMILES for 7-methylspiro[2.5]octane is CC1CCCC2(CC2)C1.
What is the InChIKey of 7-methylspiro[2.5]octane?
The InChIKey is VKZYYOJPSOQYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8-3-2-4-9(7-8)5-6-9/h8H,2-7H2,1H3.
What are the key properties of 7-methylspiro[2.5]octane?
7-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 7-methylspiro[2.5]octane is sourced from PubChem (CID 21021869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).