8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid

C18H32O5 — CID 122370783

IUPAC8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid
SMILESCC[C@H](O)/C=C/[C@H]1[C@@H](CCCCCCCC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
InChIKeyRQXBHXSBLSHCPO-KYFQLVDCSA-N
MW328.45 g/mol
LogP2.49
Rot. Bonds11

About 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid

8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid (PubChem CID 122370783) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid.

Molecular Properties

Compound Name8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid
PubChem CID122370783
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid
SMILESCC[C@H](O)/C=C/[C@H]1[C@@H](CCCCCCCC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1
InChIKeyRQXBHXSBLSHCPO-KYFQLVDCSA-N
XLogP2.49
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.49
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid?
The IUPAC name of 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid (CID 122370783) is 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid.
What is the SMILES notation for 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid?
The canonical SMILES for 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid is CC[C@H](O)/C=C/[C@H]1[C@@H](CCCCCCCC(=O)O)[C@H](O)C[C@@H]1O.
What is the InChIKey of 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid?
The InChIKey is RQXBHXSBLSHCPO-KYFQLVDCSA-N. The full InChI is InChI=1S/C18H32O5/c1-2-13(19)10-11-15-14(16(20)12-17(15)21)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15-,16+,17-/m0/s1.
What are the key properties of 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid?
8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid has a molecular weight of 328.45 g/mol, XLogP of 2.49, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]cyclopentyl]octanoic acid is sourced from PubChem (CID 122370783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).