(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium

C9H14O4Y — CID 58635907

IUPAC(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
SMILESCC1(C)OC2[C@H](O)C=C(CO)[C@@H]2O1.[Y]
InChIInChI=1S/C9H14O4.Y/c1-9(2)12-7-5(4-10)3-6(11)8(7)13-9;/h3,6-8,10-11H,4H2,1-2H3;/t6-,7+,8?;/m1./s1
InChIKeyDHLZTWKORBWFHH-MPSJGLFWSA-N
MW275.11 g/mol
LogP-0.20
Rot. Bonds1

About (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium

(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium (PubChem CID 58635907) has the molecular formula C9H14O4Y and a molecular weight of 275.11 g/mol. Its IUPAC name is (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium.

Molecular Properties

Compound Name(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
PubChem CID58635907
Molecular FormulaC9H14O4Y
Molecular Weight275.11 g/mol
Exact Mass275.00
IUPAC Name(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
SMILESCC1(C)OC2[C@H](O)C=C(CO)[C@@H]2O1.[Y]
InChIInChI=1S/C9H14O4.Y/c1-9(2)12-7-5(4-10)3-6(11)8(7)13-9;/h3,6-8,10-11H,4H2,1-2H3;/t6-,7+,8?;/m1./s1
InChIKeyDHLZTWKORBWFHH-MPSJGLFWSA-N
XLogP-0.20
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 59963005
(3aR,6S)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 58635906
[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium
CID 59088465
(3aR,6S,6aS)-2,2-dimethyl-4-(trityloxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 10884464
(3aR,6S,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 24767460
(6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 58635890
(1S,2R,3S,6S,9R)-5-(hydroxymethyl)-12,12-dimethyl-8,11,13-trioxatricyclo[7.4.0.02,6]tridec-4-en-3-ol
CID 102019722
[6-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
CID 13118249
(3aS,7aS)-6-amino-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 66669324
[(3aR,6R,6aS)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
CID 138688008
(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
[(3aR,6R,6aS)-6-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
CID 138688017

Frequently Asked Questions

What is the IUPAC name of (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium?
The IUPAC name of (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium (CID 58635907) is (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium.
What is the SMILES notation for (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium?
The canonical SMILES for (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium is CC1(C)OC2[C@H](O)C=C(CO)[C@@H]2O1.[Y].
What is the InChIKey of (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium?
The InChIKey is DHLZTWKORBWFHH-MPSJGLFWSA-N. The full InChI is InChI=1S/C9H14O4.Y/c1-9(2)12-7-5(4-10)3-6(11)8(7)13-9;/h3,6-8,10-11H,4H2,1-2H3;/t6-,7+,8?;/m1./s1.
What are the key properties of (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium?
(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium has a molecular weight of 275.11 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium is sourced from PubChem (CID 58635907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).