3-methylspiro[4.5]deca-7,9-diene

C11H16 — CID 90829318

IUPAC3-methylspiro[4.5]deca-7,9-diene
SMILESCC1CCC2(C=CC=CC2)C1
InChIInChI=1S/C11H16/c1-10-5-8-11(9-10)6-3-2-4-7-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyXEHVXZKRIBUQBT-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds

About 3-methylspiro[4.5]deca-7,9-diene

3-methylspiro[4.5]deca-7,9-diene (PubChem CID 90829318) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-methylspiro[4.5]deca-7,9-diene.

Molecular Properties

Compound Name3-methylspiro[4.5]deca-7,9-diene
PubChem CID90829318
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-methylspiro[4.5]deca-7,9-diene
SMILESCC1CCC2(C=CC=CC2)C1
InChIInChI=1S/C11H16/c1-10-5-8-11(9-10)6-3-2-4-7-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyXEHVXZKRIBUQBT-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[4.5]deca-7,9-diene?
The IUPAC name of 3-methylspiro[4.5]deca-7,9-diene (CID 90829318) is 3-methylspiro[4.5]deca-7,9-diene.
What is the SMILES notation for 3-methylspiro[4.5]deca-7,9-diene?
The canonical SMILES for 3-methylspiro[4.5]deca-7,9-diene is CC1CCC2(C=CC=CC2)C1.
What is the InChIKey of 3-methylspiro[4.5]deca-7,9-diene?
The InChIKey is XEHVXZKRIBUQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-10-5-8-11(9-10)6-3-2-4-7-11/h2-4,6,10H,5,7-9H2,1H3.
What are the key properties of 3-methylspiro[4.5]deca-7,9-diene?
3-methylspiro[4.5]deca-7,9-diene has a molecular weight of 148.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[4.5]deca-7,9-diene is sourced from PubChem (CID 90829318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).