2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid

C8H10O4 — CID 14846212

IUPAC2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid
SMILESO=C(O)CC1C=CC2OCOC12
InChIInChI=1S/C8H10O4/c9-7(10)3-5-1-2-6-8(5)12-4-11-6/h1-2,5-6,8H,3-4H2,(H,9,10)
InChIKeyRLAYORHZVUAORH-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.39
Rot. Bonds2

About 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid

2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid (PubChem CID 14846212) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid
PubChem CID14846212
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid
SMILESO=C(O)CC1C=CC2OCOC12
InChIInChI=1S/C8H10O4/c9-7(10)3-5-1-2-6-8(5)12-4-11-6/h1-2,5-6,8H,3-4H2,(H,9,10)
InChIKeyRLAYORHZVUAORH-UHFFFAOYSA-N
XLogP0.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rac-2-[(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]acetic acid
CID 165981806
(4S,5S)-5-[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]-4-(dimethoxymethyl)oxolan-2-one
CID 53381683
[(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate
CID 10821282
2-(2-Oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-4-yl)acetic acid
CID 14037030
Pocfwduypiougs-uhfffaoysa-
CID 44631542
2-{7-Oxabicyclo[2.2.1]hept-5-en-2-yl}acetic acid
CID 22618967
Tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]acetate
CID 22618991
2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 59466844
1-Butoxyethyl 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetate
CID 69022350
1-Ethoxyethyl 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetate
CID 69024637
methyl 2-[(2R)-2-methoxy-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]acetate
CID 69935661
methyl 2-(2-methoxy-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl)acetate
CID 69935668

Frequently Asked Questions

What is the IUPAC name of 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid?
The IUPAC name of 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid (CID 14846212) is 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid.
What is the SMILES notation for 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid?
The canonical SMILES for 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid is O=C(O)CC1C=CC2OCOC12.
What is the InChIKey of 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid?
The InChIKey is RLAYORHZVUAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7(10)3-5-1-2-6-8(5)12-4-11-6/h1-2,5-6,8H,3-4H2,(H,9,10).
What are the key properties of 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid?
2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid has a molecular weight of 170.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetic acid is sourced from PubChem (CID 14846212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).