(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol

C11H18O4 — CID 11806057

IUPAC(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol
SMILESCC1(C2=C[C@@H](CCO)[C@@H](O)C2)OCCO1
InChIInChI=1S/C11H18O4/c1-11(14-4-5-15-11)9-6-8(2-3-12)10(13)7-9/h6,8,10,12-13H,2-5,7H2,1H3/t8-,10+/m1/s1
InChIKeyJFFRJOAUHQOSBT-SCZZXKLOSA-N
MW214.26 g/mol
LogP0.44
Rot. Bonds3

About (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol

(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol (PubChem CID 11806057) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol
PubChem CID11806057
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol
SMILESCC1(C2=C[C@@H](CCO)[C@@H](O)C2)OCCO1
InChIInChI=1S/C11H18O4/c1-11(14-4-5-15-11)9-6-8(2-3-12)10(13)7-9/h6,8,10,12-13H,2-5,7H2,1H3/t8-,10+/m1/s1
InChIKeyJFFRJOAUHQOSBT-SCZZXKLOSA-N
XLogP0.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol with MolForge

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Related Compounds

2-methyl-2-[(4R)-4-methylcyclohexen-1-yl]-1,3-dioxolane
CID 139467954
(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
CID 123276701
4-(1,4-Dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
CID 10856443
[(3aR,6R)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium
CID 59088459
[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium
CID 59088465
(4S)-4-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-ol
CID 59963463
10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2,7-diol
CID 123868999
2-Methyl-2-(4-methylcyclohexen-1-yl)-1,3-dioxolane
CID 139467955
(3aS,7R,10E,11aR)-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2,7-diol
CID 144413787
(5'R)-spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]oct-1(7)-ene]-3'-ol
CID 163479799
(3E,12E)-3,12-dimethyl-8-methylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,12,16(19)-triene-7,17-diol
CID 166825892
[(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
CID 167185640

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol?
The IUPAC name of (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol (CID 11806057) is (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol is CC1(C2=C[C@@H](CCO)[C@@H](O)C2)OCCO1.
What is the InChIKey of (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol?
The InChIKey is JFFRJOAUHQOSBT-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(14-4-5-15-11)9-6-8(2-3-12)10(13)7-9/h6,8,10,12-13H,2-5,7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol?
(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol has a molecular weight of 214.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol is sourced from PubChem (CID 11806057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).