1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one

C20H38O5 — CID 86058568

IUPAC1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one
SMILESC=C(CCCCCC(OC)OC)C(=O)CCCCCCC(OC)OC
InChIInChI=1S/C20H38O5/c1-17(13-9-8-12-16-20(24-4)25-5)18(21)14-10-6-7-11-15-19(22-2)23-3/h19-20H,1,6-16H2,2-5H3
InChIKeyGZXASISGFCHVAW-UHFFFAOYSA-N
MW358.52 g/mol
LogP4.64
Rot. Bonds18

About 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one

1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one (PubChem CID 86058568) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one.

Molecular Properties

Compound Name1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one
PubChem CID86058568
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one
SMILESC=C(CCCCCC(OC)OC)C(=O)CCCCCCC(OC)OC
InChIInChI=1S/C20H38O5/c1-17(13-9-8-12-16-20(24-4)25-5)18(21)14-10-6-7-11-15-19(22-2)23-3/h19-20H,1,6-16H2,2-5H3
InChIKeyGZXASISGFCHVAW-UHFFFAOYSA-N
XLogP4.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 10-methylene-9-oxooctadecanoate
CID 14582211
Methyl 9-methylene-8-oxoheptadecanoate
CID 14582212
8-Methoxy-3-methylideneoctan-2-one
CID 23393119
33-Methoxy-3-methylidenetritriacontan-2-one
CID 57553319
33-Methoxy-2-methyltritriacont-1-en-3-one
CID 57553325
28-Methoxy-2-methyloctacos-1-en-3-one
CID 57957212
1-[1-(2-Methylideneoctanoylperoxy)ethoxycarbonyloxy]ethyl 2-methylideneoctaneperoxoate
CID 88653025
1-[1-(2-Methylideneheptanoylperoxy)ethoxycarbonyloxy]ethyl 2-methylideneheptaneperoxoate
CID 88653247
32-Methoxy-3-methylidenedotriacontan-2-one
CID 88857828
26-Methoxy-2-methylhexacos-1-en-3-one
CID 88857833
29-Methoxy-2-methylnonacos-1-en-3-one
CID 90139531
Methoxyethane;28-methoxy-2-methyloctacos-1-en-3-one
CID 91392375

Frequently Asked Questions

What is the IUPAC name of 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one?
The IUPAC name of 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one (CID 86058568) is 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one.
What is the SMILES notation for 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one?
The canonical SMILES for 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one is C=C(CCCCCC(OC)OC)C(=O)CCCCCCC(OC)OC.
What is the InChIKey of 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one?
The InChIKey is GZXASISGFCHVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5/c1-17(13-9-8-12-16-20(24-4)25-5)18(21)14-10-6-7-11-15-19(22-2)23-3/h19-20H,1,6-16H2,2-5H3.
What are the key properties of 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one?
1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one has a molecular weight of 358.52 g/mol, XLogP of 4.64, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,15,15-tetramethoxy-7-methylidenepentadecan-8-one is sourced from PubChem (CID 86058568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).