3,3-dimethyl-oxacyclopentadecan-2-one

C16H30O2 — CID 71147227

IUPAC3,3-dimethyl-oxacyclopentadecan-2-one
SMILESCC1(C)CCCCCCCCCCCCOC1=O
InChIInChI=1S/C16H30O2/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18-15(16)17/h3-14H2,1-2H3
InChIKeyICIGEKMNPLDMMQ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.86
Rot. Bonds

About 3,3-dimethyl-oxacyclopentadecan-2-one

3,3-dimethyl-oxacyclopentadecan-2-one (PubChem CID 71147227) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3,3-dimethyl-oxacyclopentadecan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-oxacyclopentadecan-2-one
PubChem CID71147227
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3,3-dimethyl-oxacyclopentadecan-2-one
SMILESCC1(C)CCCCCCCCCCCCOC1=O
InChIInChI=1S/C16H30O2/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18-15(16)17/h3-14H2,1-2H3
InChIKeyICIGEKMNPLDMMQ-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-oxacyclopentadecan-2-one?
The IUPAC name of 3,3-dimethyl-oxacyclopentadecan-2-one (CID 71147227) is 3,3-dimethyl-oxacyclopentadecan-2-one.
What is the SMILES notation for 3,3-dimethyl-oxacyclopentadecan-2-one?
The canonical SMILES for 3,3-dimethyl-oxacyclopentadecan-2-one is CC1(C)CCCCCCCCCCCCOC1=O.
What is the InChIKey of 3,3-dimethyl-oxacyclopentadecan-2-one?
The InChIKey is ICIGEKMNPLDMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18-15(16)17/h3-14H2,1-2H3.
What are the key properties of 3,3-dimethyl-oxacyclopentadecan-2-one?
3,3-dimethyl-oxacyclopentadecan-2-one has a molecular weight of 254.41 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-oxacyclopentadecan-2-one is sourced from PubChem (CID 71147227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).