10,10-dimethoxyoctadecan-9-one

C20H40O3 — CID 140969961

IUPAC10,10-dimethoxyoctadecan-9-one
SMILESCCCCCCCCC(=O)C(CCCCCCCC)(OC)OC
InChIInChI=1S/C20H40O3/c1-5-7-9-11-13-15-17-19(21)20(22-3,23-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3
InChIKeyRKCWXAHDGSFPAJ-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.05
Rot. Bonds17

About 10,10-dimethoxyoctadecan-9-one

10,10-dimethoxyoctadecan-9-one (PubChem CID 140969961) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 10,10-dimethoxyoctadecan-9-one.

Molecular Properties

Compound Name10,10-dimethoxyoctadecan-9-one
PubChem CID140969961
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name10,10-dimethoxyoctadecan-9-one
SMILESCCCCCCCCC(=O)C(CCCCCCCC)(OC)OC
InChIInChI=1S/C20H40O3/c1-5-7-9-11-13-15-17-19(21)20(22-3,23-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3
InChIKeyRKCWXAHDGSFPAJ-UHFFFAOYSA-N
XLogP6.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethoxyoctadecan-9-one?
The IUPAC name of 10,10-dimethoxyoctadecan-9-one (CID 140969961) is 10,10-dimethoxyoctadecan-9-one.
What is the SMILES notation for 10,10-dimethoxyoctadecan-9-one?
The canonical SMILES for 10,10-dimethoxyoctadecan-9-one is CCCCCCCCC(=O)C(CCCCCCCC)(OC)OC.
What is the InChIKey of 10,10-dimethoxyoctadecan-9-one?
The InChIKey is RKCWXAHDGSFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-5-7-9-11-13-15-17-19(21)20(22-3,23-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3.
What are the key properties of 10,10-dimethoxyoctadecan-9-one?
10,10-dimethoxyoctadecan-9-one has a molecular weight of 328.54 g/mol, XLogP of 6.05, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethoxyoctadecan-9-one is sourced from PubChem (CID 140969961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).