3-hydroxy-3-methylcyclopentadecan-1-one

C16H30O2 — CID 11311367

IUPAC3-hydroxy-3-methylcyclopentadecan-1-one
SMILESCC1(O)CCCCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O2/c1-16(18)13-11-9-7-5-3-2-4-6-8-10-12-15(17)14-16/h18H,2-14H2,1H3
InChIKeyHGDPLYKNJHHAHO-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.39
Rot. Bonds

About 3-hydroxy-3-methylcyclopentadecan-1-one

3-hydroxy-3-methylcyclopentadecan-1-one (PubChem CID 11311367) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-hydroxy-3-methylcyclopentadecan-1-one.

Molecular Properties

Compound Name3-hydroxy-3-methylcyclopentadecan-1-one
PubChem CID11311367
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3-hydroxy-3-methylcyclopentadecan-1-one
SMILESCC1(O)CCCCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H30O2/c1-16(18)13-11-9-7-5-3-2-4-6-8-10-12-15(17)14-16/h18H,2-14H2,1H3
InChIKeyHGDPLYKNJHHAHO-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methylcyclopentadecan-1-one?
The IUPAC name of 3-hydroxy-3-methylcyclopentadecan-1-one (CID 11311367) is 3-hydroxy-3-methylcyclopentadecan-1-one.
What is the SMILES notation for 3-hydroxy-3-methylcyclopentadecan-1-one?
The canonical SMILES for 3-hydroxy-3-methylcyclopentadecan-1-one is CC1(O)CCCCCCCCCCCCC(=O)C1.
What is the InChIKey of 3-hydroxy-3-methylcyclopentadecan-1-one?
The InChIKey is HGDPLYKNJHHAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-16(18)13-11-9-7-5-3-2-4-6-8-10-12-15(17)14-16/h18H,2-14H2,1H3.
What are the key properties of 3-hydroxy-3-methylcyclopentadecan-1-one?
3-hydroxy-3-methylcyclopentadecan-1-one has a molecular weight of 254.41 g/mol, XLogP of 4.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylcyclopentadecan-1-one is sourced from PubChem (CID 11311367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).