4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one

C16H28O2 — CID 69028076

IUPAC4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one
SMILESCC1CC(=O)C(C)(O)C12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H28O2/c1-11-7-12(17)15(6,18)16(11)9-13(2,3)8-14(4,5)10-16/h11,18H,7-10H2,1-6H3
InChIKeyDLFATRPSUKNSKP-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.57
Rot. Bonds

About 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one

4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one (PubChem CID 69028076) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one
PubChem CID69028076
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one
SMILESCC1CC(=O)C(C)(O)C12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C16H28O2/c1-11-7-12(17)15(6,18)16(11)9-13(2,3)8-14(4,5)10-16/h11,18H,7-10H2,1-6H3
InChIKeyDLFATRPSUKNSKP-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one 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 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
The IUPAC name of 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one (CID 69028076) is 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one.
What is the SMILES notation for 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
The canonical SMILES for 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one is CC1CC(=O)C(C)(O)C12CC(C)(C)CC(C)(C)C2.
What is the InChIKey of 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
The InChIKey is DLFATRPSUKNSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11-7-12(17)15(6,18)16(11)9-13(2,3)8-14(4,5)10-16/h11,18H,7-10H2,1-6H3.
What are the key properties of 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one?
4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one has a molecular weight of 252.40 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,4,7,7,9,9-hexamethylspiro[4.5]decan-3-one is sourced from PubChem (CID 69028076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).