[(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate

C18H34O3 — CID 11403796

IUPAC[(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate
SMILESCC(=O)OC1CCCCCCCCCCC(O)C[C@@H](C)C1
InChIInChI=1S/C18H34O3/c1-15-13-17(20)11-9-7-5-3-4-6-8-10-12-18(14-15)21-16(2)19/h15,17-18,20H,3-14H2,1-2H3/t15-,17?,18?/m1/s1
InChIKeyMTGSRZHGLBWMTO-FAEJEUNOSA-N
MW298.47 g/mol
LogP4.61
Rot. Bonds1

About [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate

[(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate (PubChem CID 11403796) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate.

Molecular Properties

Compound Name[(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate
PubChem CID11403796
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name[(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate
SMILESCC(=O)OC1CCCCCCCCCCC(O)C[C@@H](C)C1
InChIInChI=1S/C18H34O3/c1-15-13-17(20)11-9-7-5-3-4-6-8-10-12-18(14-15)21-16(2)19/h15,17-18,20H,3-14H2,1-2H3/t15-,17?,18?/m1/s1
InChIKeyMTGSRZHGLBWMTO-FAEJEUNOSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate?
The IUPAC name of [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate (CID 11403796) is [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate.
What is the SMILES notation for [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate?
The canonical SMILES for [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate is CC(=O)OC1CCCCCCCCCCC(O)C[C@@H](C)C1.
What is the InChIKey of [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate?
The InChIKey is MTGSRZHGLBWMTO-FAEJEUNOSA-N. The full InChI is InChI=1S/C18H34O3/c1-15-13-17(20)11-9-7-5-3-4-6-8-10-12-18(14-15)21-16(2)19/h15,17-18,20H,3-14H2,1-2H3/t15-,17?,18?/m1/s1.
What are the key properties of [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate?
[(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate has a molecular weight of 298.47 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-hydroxy-3-methylcyclopentadecyl] acetate is sourced from PubChem (CID 11403796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).