[(3R)-3-methylcyclopentadecen-1-yl] propanoate

C19H34O2 — CID 54742103

IUPAC[(3R)-3-methylcyclopentadecen-1-yl] propanoate
SMILESCCC(=O)OC1=C[C@H](C)CCCCCCCCCCCC1
InChIInChI=1S/C19H34O2/c1-3-19(20)21-18-15-13-11-9-7-5-4-6-8-10-12-14-17(2)16-18/h16-17H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyARQMFSJXLZTGCX-QGZVFWFLSA-N
MW294.48 g/mol
LogP6.15
Rot. Bonds2

About [(3R)-3-methylcyclopentadecen-1-yl] propanoate

[(3R)-3-methylcyclopentadecen-1-yl] propanoate (PubChem CID 54742103) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is [(3R)-3-methylcyclopentadecen-1-yl] propanoate.

Molecular Properties

Compound Name[(3R)-3-methylcyclopentadecen-1-yl] propanoate
PubChem CID54742103
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name[(3R)-3-methylcyclopentadecen-1-yl] propanoate
SMILESCCC(=O)OC1=C[C@H](C)CCCCCCCCCCCC1
InChIInChI=1S/C19H34O2/c1-3-19(20)21-18-15-13-11-9-7-5-4-6-8-10-12-14-17(2)16-18/h16-17H,3-15H2,1-2H3/t17-/m1/s1
InChIKeyARQMFSJXLZTGCX-QGZVFWFLSA-N
XLogP6.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylcyclopentadecen-1-yl] propanoate?
The IUPAC name of [(3R)-3-methylcyclopentadecen-1-yl] propanoate (CID 54742103) is [(3R)-3-methylcyclopentadecen-1-yl] propanoate.
What is the SMILES notation for [(3R)-3-methylcyclopentadecen-1-yl] propanoate?
The canonical SMILES for [(3R)-3-methylcyclopentadecen-1-yl] propanoate is CCC(=O)OC1=C[C@H](C)CCCCCCCCCCCC1.
What is the InChIKey of [(3R)-3-methylcyclopentadecen-1-yl] propanoate?
The InChIKey is ARQMFSJXLZTGCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-19(20)21-18-15-13-11-9-7-5-4-6-8-10-12-14-17(2)16-18/h16-17H,3-15H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-methylcyclopentadecen-1-yl] propanoate?
[(3R)-3-methylcyclopentadecen-1-yl] propanoate has a molecular weight of 294.48 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylcyclopentadecen-1-yl] propanoate is sourced from PubChem (CID 54742103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).