8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione

C24H40O5 — CID 118737696

IUPAC8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILESCCCCCCCCCCCCCCCC(O)=C1C(=O)OC2(CCCC2)OC1=O
InChIInChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25)21-22(26)28-24(29-23(21)27)18-15-16-19-24/h25H,2-19H2,1H3
InChIKeyKJFCJJQZAZJYHH-UHFFFAOYSA-N
MW408.58 g/mol
LogP6.65
Rot. Bonds14

About 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione

8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione (PubChem CID 118737696) has the molecular formula C24H40O5 and a molecular weight of 408.58 g/mol. Its IUPAC name is 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione
PubChem CID118737696
Molecular FormulaC24H40O5
Molecular Weight408.58 g/mol
Exact Mass408.29
IUPAC Name8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILESCCCCCCCCCCCCCCCC(O)=C1C(=O)OC2(CCCC2)OC1=O
InChIInChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25)21-22(26)28-24(29-23(21)27)18-15-16-19-24/h25H,2-19H2,1H3
InChIKeyKJFCJJQZAZJYHH-UHFFFAOYSA-N
XLogP6.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione 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 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione (CID 118737696) is 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione is CCCCCCCCCCCCCCCC(O)=C1C(=O)OC2(CCCC2)OC1=O.
What is the InChIKey of 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione?
The InChIKey is KJFCJJQZAZJYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25)21-22(26)28-24(29-23(21)27)18-15-16-19-24/h25H,2-19H2,1H3.
What are the key properties of 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione?
8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione has a molecular weight of 408.58 g/mol, XLogP of 6.65, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-hydroxyhexadecylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 118737696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).