[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate

C10H14O3 — CID 141047905

IUPAC[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate
SMILESCOCC1=C(COC(C)=O)CC=C1
InChIInChI=1S/C10H14O3/c1-8(11)13-7-10-5-3-4-9(10)6-12-2/h3-4H,5-7H2,1-2H3
InChIKeySBJLJSSERPKVOV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds4

About [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate

[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate (PubChem CID 141047905) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate.

Molecular Properties

Compound Name[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate
PubChem CID141047905
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate
SMILESCOCC1=C(COC(C)=O)CC=C1
InChIInChI=1S/C10H14O3/c1-8(11)13-7-10-5-3-4-9(10)6-12-2/h3-4H,5-7H2,1-2H3
InChIKeySBJLJSSERPKVOV-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(acetyloxymethyl)-4-methylcyclohexa-1,4-dien-1-yl]methyl acetate
CID 134835207
[3,6,7-tris(acetyloxymethyl)-1,4,5,8-tetrahydronaphthalen-2-yl]methyl acetate
CID 10093584
[5-(methoxymethyl)-3-pyridinyl]methyl acetate
CID 54247300
cyclopropane;2-methoxyethyl acetate
CID 69413766
[3,5,7-tris(acetyloxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methyl acetate
CID 73449970
2-acetyloxyethyl acetate;2,5-dihydrofuran
CID 161155576
1,2-dimethoxyethane;ethyl acetate
CID 87198031
[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
CID 122642714
cyclooctatetraenylmethyl acetate
CID 12982598
(3,4-dimethylthiophen-2-yl)methyl acetate
CID 101466791
benzyl acetate
CID 8785
2H-pyran-4-ylmethyl acetate
CID 67294170

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
The IUPAC name of [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate (CID 141047905) is [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate.
What is the SMILES notation for [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
The canonical SMILES for [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate is COCC1=C(COC(C)=O)CC=C1.
What is the InChIKey of [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
The InChIKey is SBJLJSSERPKVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(11)13-7-10-5-3-4-9(10)6-12-2/h3-4H,5-7H2,1-2H3.
What are the key properties of [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate?
[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate has a molecular weight of 182.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate is sourced from PubChem (CID 141047905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).