(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol

C20H36O4 — CID 5283100

IUPAC(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCCO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h5,8,12-13,16-24H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20+/m0/s1
InChIKeyQYBXRFWLQYXAPC-LFZNYWNYSA-N
MW340.50 g/mol
LogP2.95
Rot. Bonds12

About (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol

(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol (PubChem CID 5283100) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol
PubChem CID5283100
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCCO)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h5,8,12-13,16-24H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20+/m0/s1
InChIKeyQYBXRFWLQYXAPC-LFZNYWNYSA-N
XLogP2.95
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.95
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 (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol?
The IUPAC name of (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol (CID 5283100) is (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol.
What is the SMILES notation for (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol?
The canonical SMILES for (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol is CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCCO)[C@@H](O)C[C@H]1O.
What is the InChIKey of (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol?
The InChIKey is QYBXRFWLQYXAPC-LFZNYWNYSA-N. The full InChI is InChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h5,8,12-13,16-24H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20+/m0/s1.
What are the key properties of (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol?
(1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol has a molecular weight of 340.50 g/mol, XLogP of 2.95, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,5R)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol is sourced from PubChem (CID 5283100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).