cycloocten-1-yl benzoate

C15H18O2 — CID 85420159

IUPACcycloocten-1-yl benzoate
SMILESO=C(OC1=CCCCCCC1)c1ccccc1
InChIInChI=1S/C15H18O2/c16-15(13-9-5-4-6-10-13)17-14-11-7-2-1-3-8-12-14/h4-6,9-11H,1-3,7-8,12H2
InChIKeyXWPKKGOGOJYKDG-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.08
Rot. Bonds2

About cycloocten-1-yl benzoate

cycloocten-1-yl benzoate (PubChem CID 85420159) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is cycloocten-1-yl benzoate.

Molecular Properties

Compound Namecycloocten-1-yl benzoate
PubChem CID85420159
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namecycloocten-1-yl benzoate
SMILESO=C(OC1=CCCCCCC1)c1ccccc1
InChIInChI=1S/C15H18O2/c16-15(13-9-5-4-6-10-13)17-14-11-7-2-1-3-8-12-14/h4-6,9-11H,1-3,7-8,12H2
InChIKeyXWPKKGOGOJYKDG-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3.5]non-7-en-7-yl benzoate
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dicyclododecen-1-yl butanedioate
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(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-4-yl) benzoate
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cyclohexen-1-yl N-benzylcarbamate
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(E)-4-[(1E)-cycloocten-1-yl]oxy-4-oxobut-2-enoic acid
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2-(cyclohexene-1-carbonyloxy)ethyl benzoate
CID 90721732
[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone
CID 101228026
cyclopenten-1-yl acetate
CID 4640893
(2-oxocycloheptyl) benzoate
CID 12723134
cyclohexen-1-yloxy(triphenyl)stannane
CID 16698206
(5-oxo-1,2-dihydropyrrol-3-yl) benzoate
CID 15270201
(2,4-dioxo-1H-pyrimidin-5-yl) benzoate
CID 154115607

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl benzoate?
The IUPAC name of cycloocten-1-yl benzoate (CID 85420159) is cycloocten-1-yl benzoate.
What is the SMILES notation for cycloocten-1-yl benzoate?
The canonical SMILES for cycloocten-1-yl benzoate is O=C(OC1=CCCCCCC1)c1ccccc1.
What is the InChIKey of cycloocten-1-yl benzoate?
The InChIKey is XWPKKGOGOJYKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-15(13-9-5-4-6-10-13)17-14-11-7-2-1-3-8-12-14/h4-6,9-11H,1-3,7-8,12H2.
What are the key properties of cycloocten-1-yl benzoate?
cycloocten-1-yl benzoate has a molecular weight of 230.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl benzoate is sourced from PubChem (CID 85420159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).