cyclooctatetraenylmethyl acetate

C11H12O2 — CID 12982598

IUPACcyclooctatetraenylmethyl acetate
SMILESCC(=O)OCC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-11-7-5-3-2-4-6-8-11/h2-8H,9H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,11-7+,11-8+
InChIKeyUCAKLRSOUKSAJM-YMAARQHGSA-N
MW176.21 g/mol
LogP2.16
Rot. Bonds2

About cyclooctatetraenylmethyl acetate

cyclooctatetraenylmethyl acetate (PubChem CID 12982598) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is cyclooctatetraenylmethyl acetate.

Molecular Properties

Compound Namecyclooctatetraenylmethyl acetate
PubChem CID12982598
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Namecyclooctatetraenylmethyl acetate
SMILESCC(=O)OCC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-11-7-5-3-2-4-6-8-11/h2-8H,9H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,11-7+,11-8+
InChIKeyUCAKLRSOUKSAJM-YMAARQHGSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5,7-tris(acetyloxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methyl acetate
CID 73449970
2H-pyran-4-ylmethyl acetate
CID 67294170
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
6-(acetyloxymethyl)naphthalene-2-carboxylic acid
CID 15589960
(4-bromocyclohexa-1,3-dien-1-yl)methyl acetate
CID 145353867
benzyl acetate
CID 8785
CID 90816966
CID 90816966
benzyl acetate;molecular nitrogen
CID 174861862
[3,7,8-tris(acetyloxymethyl)phenazin-2-yl]methyl acetate
CID 2748014
(4-fluorophenyl)methyl acetate
CID 14793785
benzyl acetate;carbamic acid
CID 159542161
[3,6,7-tris(acetyloxymethyl)-1,4,5,8-tetrahydronaphthalen-2-yl]methyl acetate
CID 10093584

Frequently Asked Questions

What is the IUPAC name of cyclooctatetraenylmethyl acetate?
The IUPAC name of cyclooctatetraenylmethyl acetate (CID 12982598) is cyclooctatetraenylmethyl acetate.
What is the SMILES notation for cyclooctatetraenylmethyl acetate?
The canonical SMILES for cyclooctatetraenylmethyl acetate is CC(=O)OCC1=C/C=C\C=C/C=C\1.
What is the InChIKey of cyclooctatetraenylmethyl acetate?
The InChIKey is UCAKLRSOUKSAJM-YMAARQHGSA-N. The full InChI is InChI=1S/C11H12O2/c1-10(12)13-9-11-7-5-3-2-4-6-8-11/h2-8H,9H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,8-6-,11-7+,11-8+.
What are the key properties of cyclooctatetraenylmethyl acetate?
cyclooctatetraenylmethyl acetate has a molecular weight of 176.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctatetraenylmethyl acetate is sourced from PubChem (CID 12982598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).