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

C22H32O6 — CID 70192074

IUPAC(Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCO/C(=C/CCCc1ccco1)C1(O)CCCC1(O)C/C=C\CCCC(=O)O
InChIInChI=1S/C22H32O6/c1-27-19(12-6-5-10-18-11-8-17-28-18)22(26)16-9-15-21(22,25)14-7-3-2-4-13-20(23)24/h3,7-8,11-12,17,25-26H,2,4-6,9-10,13-16H2,1H3,(H,23,24)/b7-3-,19-12+
InChIKeyUCWSSSRYRGQOKV-FZFSQPPVSA-N
MW392.49 g/mol
LogP3.98
Rot. Bonds12

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

(Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 70192074) has the molecular formula C22H32O6 and a molecular weight of 392.49 g/mol. Its IUPAC name is (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID70192074
Molecular FormulaC22H32O6
Molecular Weight392.49 g/mol
Exact Mass392.22
IUPAC Name(Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid
SMILESCO/C(=C/CCCc1ccco1)C1(O)CCCC1(O)C/C=C\CCCC(=O)O
InChIInChI=1S/C22H32O6/c1-27-19(12-6-5-10-18-11-8-17-28-18)22(26)16-9-15-21(22,25)14-7-3-2-4-13-20(23)24/h3,7-8,11-12,17,25-26H,2,4-6,9-10,13-16H2,1H3,(H,23,24)/b7-3-,19-12+
InChIKeyUCWSSSRYRGQOKV-FZFSQPPVSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 91343438
4-(furan-2-yl)butanal
CID 14455558
2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 70608011
dilithium;(E)-17-bromoheptadec-8-ene;furan;bis(2H-furan-2-ide);(E)-heptadec-9-enoic acid;2-[(E)-heptadec-9-enyl]furan
CID 158183599
7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide
CID 57012817
dilithium;(6Z,9Z)-17-bromoheptadeca-6,9-diene;furan;bis(2H-furan-2-ide);2-[(8Z,11Z)-heptadeca-8,11-dienyl]furan;(9Z,12Z)-octadeca-9,12-dienoic acid
CID 158932987
methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate
CID 70461055
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 79842257
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
CID 172653541

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid (CID 70192074) is (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid is CO/C(=C/CCCc1ccco1)C1(O)CCCC1(O)C/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is UCWSSSRYRGQOKV-FZFSQPPVSA-N. The full InChI is InChI=1S/C22H32O6/c1-27-19(12-6-5-10-18-11-8-17-28-18)22(26)16-9-15-21(22,25)14-7-3-2-4-13-20(23)24/h3,7-8,11-12,17,25-26H,2,4-6,9-10,13-16H2,1H3,(H,23,24)/b7-3-,19-12+.
What are the key properties of (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 392.49 g/mol, XLogP of 3.98, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70192074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).