5,6,7-trimethylspiro[2.5]octane

C11H20 — CID 123213187

IUPAC5,6,7-trimethylspiro[2.5]octane
SMILESCC1CC2(CC2)CC(C)C1C
InChIInChI=1S/C11H20/c1-8-6-11(4-5-11)7-9(2)10(8)3/h8-10H,4-7H2,1-3H3
InChIKeyQDQSWWYRAXGVLR-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds

About 5,6,7-trimethylspiro[2.5]octane

5,6,7-trimethylspiro[2.5]octane (PubChem CID 123213187) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5,6,7-trimethylspiro[2.5]octane.

Molecular Properties

Compound Name5,6,7-trimethylspiro[2.5]octane
PubChem CID123213187
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5,6,7-trimethylspiro[2.5]octane
SMILESCC1CC2(CC2)CC(C)C1C
InChIInChI=1S/C11H20/c1-8-6-11(4-5-11)7-9(2)10(8)3/h8-10H,4-7H2,1-3H3
InChIKeyQDQSWWYRAXGVLR-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethylspiro[2.5]octane?
The IUPAC name of 5,6,7-trimethylspiro[2.5]octane (CID 123213187) is 5,6,7-trimethylspiro[2.5]octane.
What is the SMILES notation for 5,6,7-trimethylspiro[2.5]octane?
The canonical SMILES for 5,6,7-trimethylspiro[2.5]octane is CC1CC2(CC2)CC(C)C1C.
What is the InChIKey of 5,6,7-trimethylspiro[2.5]octane?
The InChIKey is QDQSWWYRAXGVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8-6-11(4-5-11)7-9(2)10(8)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 5,6,7-trimethylspiro[2.5]octane?
5,6,7-trimethylspiro[2.5]octane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethylspiro[2.5]octane is sourced from PubChem (CID 123213187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).