ethyl (3-methylcyclopentadecen-1-yl) carbonate

C19H34O3 — CID 68857639

IUPACethyl (3-methylcyclopentadecen-1-yl) carbonate
SMILESCCOC(=O)OC1=CC(C)CCCCCCCCCCCC1
InChIInChI=1S/C19H34O3/c1-3-21-19(20)22-18-15-13-11-9-7-5-4-6-8-10-12-14-17(2)16-18/h16-17H,3-15H2,1-2H3
InChIKeyFLSKCILYQRYBLF-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.37
Rot. Bonds2

About ethyl (3-methylcyclopentadecen-1-yl) carbonate

ethyl (3-methylcyclopentadecen-1-yl) carbonate (PubChem CID 68857639) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is ethyl (3-methylcyclopentadecen-1-yl) carbonate.

Molecular Properties

Compound Nameethyl (3-methylcyclopentadecen-1-yl) carbonate
PubChem CID68857639
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Nameethyl (3-methylcyclopentadecen-1-yl) carbonate
SMILESCCOC(=O)OC1=CC(C)CCCCCCCCCCCC1
InChIInChI=1S/C19H34O3/c1-3-21-19(20)22-18-15-13-11-9-7-5-4-6-8-10-12-14-17(2)16-18/h16-17H,3-15H2,1-2H3
InChIKeyFLSKCILYQRYBLF-UHFFFAOYSA-N
XLogP6.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3-methylcyclopentadecen-1-yl) carbonate?
The IUPAC name of ethyl (3-methylcyclopentadecen-1-yl) carbonate (CID 68857639) is ethyl (3-methylcyclopentadecen-1-yl) carbonate.
What is the SMILES notation for ethyl (3-methylcyclopentadecen-1-yl) carbonate?
The canonical SMILES for ethyl (3-methylcyclopentadecen-1-yl) carbonate is CCOC(=O)OC1=CC(C)CCCCCCCCCCCC1.
What is the InChIKey of ethyl (3-methylcyclopentadecen-1-yl) carbonate?
The InChIKey is FLSKCILYQRYBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-3-21-19(20)22-18-15-13-11-9-7-5-4-6-8-10-12-14-17(2)16-18/h16-17H,3-15H2,1-2H3.
What are the key properties of ethyl (3-methylcyclopentadecen-1-yl) carbonate?
ethyl (3-methylcyclopentadecen-1-yl) carbonate has a molecular weight of 310.48 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3-methylcyclopentadecen-1-yl) carbonate is sourced from PubChem (CID 68857639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).