7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

C22H32O6 — CID 91343438

IUPAC7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCOC(C=CC1C(O)CC(O)[C@@H]1CC=CCCCC(=O)O)CCc1ccco1
InChIInChI=1S/C22H32O6/c1-27-16(10-11-17-7-6-14-28-17)12-13-19-18(20(23)15-21(19)24)8-4-2-3-5-9-22(25)26/h2,4,6-7,12-14,16,18-21,23-24H,3,5,8-11,15H2,1H3,(H,25,26)/t16?,18-,19?,20?,21?/m1/s1
InChIKeyGSPXEYTTXZCEML-ORAHWAPJSA-N
MW392.49 g/mol
LogP3.34
Rot. Bonds12

About 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 91343438) has the molecular formula C22H32O6 and a molecular weight of 392.49 g/mol. Its IUPAC name is 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID91343438
Molecular FormulaC22H32O6
Molecular Weight392.49 g/mol
Exact Mass392.22
IUPAC Name7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCOC(C=CC1C(O)CC(O)[C@@H]1CC=CCCCC(=O)O)CCc1ccco1
InChIInChI=1S/C22H32O6/c1-27-16(10-11-17-7-6-14-28-17)12-13-19-18(20(23)15-21(19)24)8-4-2-3-5-9-22(25)26/h2,4,6-7,12-14,16,18-21,23-24H,3,5,8-11,15H2,1H3,(H,25,26)/t16?,18-,19?,20?,21?/m1/s1
InChIKeyGSPXEYTTXZCEML-ORAHWAPJSA-N
XLogP3.34
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(1R,2R)-3,5-dihydroxy-2-[3-methoxy-5-(3-methylthiophen-2-yl)pent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 54346433
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 91885972
8-[(1R,2R,3R,5S)-2-[(3S)-5-(5-chlorothiophen-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]-1-hydroxyoct-6-en-2-one
CID 70157521
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]cyclopentyl]hept-5-enoic acid
CID 131880784
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-(4-methylphenyl)pent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10046692
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 6443315
7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 134688226
(E)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 22795415
(E)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 133126547
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10522105
(Z)-7-[(1S,2S,3R,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 139593376
7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid
CID 54213053

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (CID 91343438) is 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is COC(C=CC1C(O)CC(O)[C@@H]1CC=CCCCC(=O)O)CCc1ccco1.
What is the InChIKey of 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is GSPXEYTTXZCEML-ORAHWAPJSA-N. The full InChI is InChI=1S/C22H32O6/c1-27-16(10-11-17-7-6-14-28-17)12-13-19-18(20(23)15-21(19)24)8-4-2-3-5-9-22(25)26/h2,4,6-7,12-14,16,18-21,23-24H,3,5,8-11,15H2,1H3,(H,25,26)/t16?,18-,19?,20?,21?/m1/s1.
What are the key properties of 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 392.49 g/mol, XLogP of 3.34, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 91343438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).