11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one

C16H30O3 — CID 118515772

IUPAC11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one
SMILESCC1CCCC(C)(C)OCCCCCCOC(=O)C1
InChIInChI=1S/C16H30O3/c1-14-9-8-10-16(2,3)19-12-7-5-4-6-11-18-15(17)13-14/h14H,4-13H2,1-3H3
InChIKeySNHBRZOVHNHPOP-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.10
Rot. Bonds

About 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one

11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one (PubChem CID 118515772) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one.

Molecular Properties

Compound Name11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one
PubChem CID118515772
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one
SMILESCC1CCCC(C)(C)OCCCCCCOC(=O)C1
InChIInChI=1S/C16H30O3/c1-14-9-8-10-16(2,3)19-12-7-5-4-6-11-18-15(17)13-14/h14H,4-13H2,1-3H3
InChIKeySNHBRZOVHNHPOP-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one?
The IUPAC name of 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one (CID 118515772) is 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one.
What is the SMILES notation for 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one?
The canonical SMILES for 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one is CC1CCCC(C)(C)OCCCCCCOC(=O)C1.
What is the InChIKey of 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one?
The InChIKey is SNHBRZOVHNHPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-14-9-8-10-16(2,3)19-12-7-5-4-6-11-18-15(17)13-14/h14H,4-13H2,1-3H3.
What are the key properties of 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one?
11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one has a molecular weight of 270.41 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15,15-trimethyl-1,8-dioxacyclopentadecan-9-one is sourced from PubChem (CID 118515772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).