(3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol

C18H34O4 — CID 11347569

IUPAC(3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol
SMILESCCCCCCCCCCCCC(O)C1(O)C(O)C=C[C@H]1O
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)18(22)16(20)13-14-17(18)21/h13-17,19-22H,2-12H2,1H3/t15?,16-,17?,18?/m1/s1
InChIKeyRGWQUBIEDNJLQF-JYJOREJMSA-N
MW314.47 g/mol
LogP2.68
Rot. Bonds12

About (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol

(3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol (PubChem CID 11347569) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol
PubChem CID11347569
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name(3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol
SMILESCCCCCCCCCCCCC(O)C1(O)C(O)C=C[C@H]1O
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)18(22)16(20)13-14-17(18)21/h13-17,19-22H,2-12H2,1H3/t15?,16-,17?,18?/m1/s1
InChIKeyRGWQUBIEDNJLQF-JYJOREJMSA-N
XLogP2.68
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.68
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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Related Compounds

1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-chlorohexadecan-1-ol
CID 87967130
2-methoxynonane-1,1-diol
CID 175114695
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
CID 11041373
1-(1-adamantyl)octan-1-ol
CID 63411073
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510
(7R)-hexatriacontan-7-ol
CID 88529159
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol?
The IUPAC name of (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol (CID 11347569) is (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol.
What is the SMILES notation for (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol?
The canonical SMILES for (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol is CCCCCCCCCCCCC(O)C1(O)C(O)C=C[C@H]1O.
What is the InChIKey of (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol?
The InChIKey is RGWQUBIEDNJLQF-JYJOREJMSA-N. The full InChI is InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)18(22)16(20)13-14-17(18)21/h13-17,19-22H,2-12H2,1H3/t15?,16-,17?,18?/m1/s1.
What are the key properties of (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol?
(3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol has a molecular weight of 314.47 g/mol, XLogP of 2.68, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol is sourced from PubChem (CID 11347569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).