3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane

C19H32 — CID 59341511

IUPAC3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane
SMILESC1CCC2(C1)CCC(CC1CCC3(CCCC3)C1)C2
InChIInChI=1S/C19H32/c1-2-8-18(7-1)11-5-16(14-18)13-17-6-12-19(15-17)9-3-4-10-19/h16-17H,1-15H2
InChIKeyGOMOVEHNKZRWHF-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.10
Rot. Bonds2

About 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane

3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane (PubChem CID 59341511) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane.

Molecular Properties

Compound Name3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane
PubChem CID59341511
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane
SMILESC1CCC2(C1)CCC(CC1CCC3(CCCC3)C1)C2
InChIInChI=1S/C19H32/c1-2-8-18(7-1)11-5-16(14-18)13-17-6-12-19(15-17)9-3-4-10-19/h16-17H,1-15H2
InChIKeyGOMOVEHNKZRWHF-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane?
The IUPAC name of 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane (CID 59341511) is 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane.
What is the SMILES notation for 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane?
The canonical SMILES for 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane is C1CCC2(C1)CCC(CC1CCC3(CCCC3)C1)C2.
What is the InChIKey of 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane?
The InChIKey is GOMOVEHNKZRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-2-8-18(7-1)11-5-16(14-18)13-17-6-12-19(15-17)9-3-4-10-19/h16-17H,1-15H2.
What are the key properties of 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane?
3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane has a molecular weight of 260.46 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane is sourced from PubChem (CID 59341511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).