18,18-dimethyl-1,4-dioxacyclooctadecan-5-one

C18H34O3 — CID 118518691

IUPAC18,18-dimethyl-1,4-dioxacyclooctadecan-5-one
SMILESCC1(C)CCCCCCCCCCCCC(=O)OCCO1
InChIInChI=1S/C18H34O3/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-17(19)20-15-16-21-18/h3-16H2,1-2H3
InChIKeyQXCVKSUJJAQHMD-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.02
Rot. Bonds

About 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one

18,18-dimethyl-1,4-dioxacyclooctadecan-5-one (PubChem CID 118518691) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one.

Molecular Properties

Compound Name18,18-dimethyl-1,4-dioxacyclooctadecan-5-one
PubChem CID118518691
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name18,18-dimethyl-1,4-dioxacyclooctadecan-5-one
SMILESCC1(C)CCCCCCCCCCCCC(=O)OCCO1
InChIInChI=1S/C18H34O3/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-17(19)20-15-16-21-18/h3-16H2,1-2H3
InChIKeyQXCVKSUJJAQHMD-UHFFFAOYSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,11-dioxacycloicosane-2,12-dione
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1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one
CID 118515772
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
2,2-dimethyloxane;methanamine
CID 144836185
3,3-dimethyl-1,5-dioxacyclohexadecane-6,16-dione
CID 70605767
bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene
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(213C)oxolan-2-one
CID 175700736
1,8,17-trioxacyclopentacosane-2,7-dione
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CID 174857419

Frequently Asked Questions

What is the IUPAC name of 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one?
The IUPAC name of 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one (CID 118518691) is 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one.
What is the SMILES notation for 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one?
The canonical SMILES for 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one is CC1(C)CCCCCCCCCCCCC(=O)OCCO1.
What is the InChIKey of 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one?
The InChIKey is QXCVKSUJJAQHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-17(19)20-15-16-21-18/h3-16H2,1-2H3.
What are the key properties of 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one?
18,18-dimethyl-1,4-dioxacyclooctadecan-5-one has a molecular weight of 298.47 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethyl-1,4-dioxacyclooctadecan-5-one is sourced from PubChem (CID 118518691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).