7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid

C15H24O5 — CID 56990025

IUPAC7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCCC=CC[C@@H]1[C@H](O)CC[C@H]1C1OCCO1
InChIInChI=1S/C15H24O5/c16-13-8-7-12(15-19-9-10-20-15)11(13)5-3-1-2-4-6-14(17)18/h1,3,11-13,15-16H,2,4-10H2,(H,17,18)/t11-,12+,13+/m0/s1
InChIKeyREIPMPYIEADOFM-YNEHKIRRSA-N
MW284.35 g/mol
LogP1.95
Rot. Bonds7

About 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid

7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid (PubChem CID 56990025) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid
PubChem CID56990025
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCCC=CC[C@@H]1[C@H](O)CC[C@H]1C1OCCO1
InChIInChI=1S/C15H24O5/c16-13-8-7-12(15-19-9-10-20-15)11(13)5-3-1-2-4-6-14(17)18/h1,3,11-13,15-16H,2,4-10H2,(H,17,18)/t11-,12+,13+/m0/s1
InChIKeyREIPMPYIEADOFM-YNEHKIRRSA-N
XLogP1.95
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(1S,2S,3R,4R)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510753
7-[(1S,2S,3S,4S)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510752
(Z)-7-[(1R,2R,3S,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70352333
(Z)-7-[(1S,2S,3S,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 67875287
(1S,2R,3R,4R)-3-(6-carboxyhex-2-enyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 54300020
(Z)-7-[(1S,2S,3R,4R)-3-amino-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70411400
(Z)-7-[(1S,2S,3S,4R)-3-[(1,3-dioxoisoindol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70485407
(Z)-7-(3-formyl-2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 88676999
8-[2-hydroxy-5-(nitromethyl)cyclopentyl]oct-6-enoic acid
CID 54030190
(Z)-7-[(1R,2R,3S,4S)-3-(cyclopentylsulfinylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70510167
(Z)-7-[(1S,2S,3R,4R)-3-(5-oxopentyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 88784325
7-[(1R,2R,3S,4S)-3-(methylsulfinylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54220340

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid (CID 56990025) is 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid is O=C(O)CCCC=CC[C@@H]1[C@H](O)CC[C@H]1C1OCCO1.
What is the InChIKey of 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is REIPMPYIEADOFM-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H24O5/c16-13-8-7-12(15-19-9-10-20-15)11(13)5-3-1-2-4-6-14(17)18/h1,3,11-13,15-16H,2,4-10H2,(H,17,18)/t11-,12+,13+/m0/s1.
What are the key properties of 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid?
7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 284.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2R,5R)-2-(1,3-dioxolan-2-yl)-5-hydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 56990025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).