[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium

C10H16O3Y — CID 59088465

IUPAC[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium
SMILESC[C@H]1C=C(CO)[C@H]2OC(C)(C)OC21.[Y]
InChIInChI=1S/C10H16O3.Y/c1-6-4-7(5-11)9-8(6)12-10(2,3)13-9;/h4,6,8-9,11H,5H2,1-3H3;/t6-,8?,9+;/m0./s1
InChIKeyLJTRXCZZEQHNIY-HQLSSEEESA-N
MW273.14 g/mol
LogP1.07
Rot. Bonds1

About [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium

[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium (PubChem CID 59088465) has the molecular formula C10H16O3Y and a molecular weight of 273.14 g/mol. Its IUPAC name is [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium.

Molecular Properties

Compound Name[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium
PubChem CID59088465
Molecular FormulaC10H16O3Y
Molecular Weight273.14 g/mol
Exact Mass273.02
IUPAC Name[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium
SMILESC[C@H]1C=C(CO)[C@H]2OC(C)(C)OC21.[Y]
InChIInChI=1S/C10H16O3.Y/c1-6-4-7(5-11)9-8(6)12-10(2,3)13-9;/h4,6,8-9,11H,5H2,1-3H3;/t6-,8?,9+;/m0./s1
InChIKeyLJTRXCZZEQHNIY-HQLSSEEESA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium?
The IUPAC name of [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium (CID 59088465) is [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium.
What is the SMILES notation for [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium?
The canonical SMILES for [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium is C[C@H]1C=C(CO)[C@H]2OC(C)(C)OC21.[Y].
What is the InChIKey of [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium?
The InChIKey is LJTRXCZZEQHNIY-HQLSSEEESA-N. The full InChI is InChI=1S/C10H16O3.Y/c1-6-4-7(5-11)9-8(6)12-10(2,3)13-9;/h4,6,8-9,11H,5H2,1-3H3;/t6-,8?,9+;/m0./s1.
What are the key properties of [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium?
[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium has a molecular weight of 273.14 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium is sourced from PubChem (CID 59088465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).