cycloheptadecyl acetate

C19H36O2 — CID 57215828

IUPACcycloheptadecyl acetate
SMILESCC(=O)OC1CCCCCCCCCCCCCCCC1
InChIInChI=1S/C19H36O2/c1-18(20)21-19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h19H,2-17H2,1H3
InChIKeyLGIJFYVSSMMHNM-UHFFFAOYSA-N
MW296.49 g/mol
LogP6.17
Rot. Bonds1

About cycloheptadecyl acetate

cycloheptadecyl acetate (PubChem CID 57215828) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is cycloheptadecyl acetate.

Molecular Properties

Compound Namecycloheptadecyl acetate
PubChem CID57215828
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Namecycloheptadecyl acetate
SMILESCC(=O)OC1CCCCCCCCCCCCCCCC1
InChIInChI=1S/C19H36O2/c1-18(20)21-19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h19H,2-17H2,1H3
InChIKeyLGIJFYVSSMMHNM-UHFFFAOYSA-N
XLogP6.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
(6-acetyloxycyclodecyl) acetate
CID 539578
lithium;carbanide;cyclohexyl acetate
CID 158677387
cyclohexyl acetate;iodoethane
CID 174262238
cyclopropane;oxan-4-yl acetate
CID 69401848
cyclopentyl acetate;methyl 2-methylprop-2-enoate
CID 174985649
[(3S)-oxocan-3-yl] acetate
CID 92981900
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
(2-oxo-oxacycloheptadec-7-yl) acetate
CID 54004174

Frequently Asked Questions

What is the IUPAC name of cycloheptadecyl acetate?
The IUPAC name of cycloheptadecyl acetate (CID 57215828) is cycloheptadecyl acetate.
What is the SMILES notation for cycloheptadecyl acetate?
The canonical SMILES for cycloheptadecyl acetate is CC(=O)OC1CCCCCCCCCCCCCCCC1.
What is the InChIKey of cycloheptadecyl acetate?
The InChIKey is LGIJFYVSSMMHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-18(20)21-19-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h19H,2-17H2,1H3.
What are the key properties of cycloheptadecyl acetate?
cycloheptadecyl acetate has a molecular weight of 296.49 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptadecyl acetate is sourced from PubChem (CID 57215828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).