(4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]

C19H16O2 — CID 102409270

IUPAC(4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]
SMILESC#C[C@H]1C[C@@H](C)OC2(O1)c1ccccc1-c1ccccc12
InChIInChI=1S/C19H16O2/c1-3-14-12-13(2)20-19(21-14)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h1,4-11,13-14H,12H2,2H3/t13-,14+/m1/s1
InChIKeyXXUFTTIUNHFQEK-KGLIPLIRSA-N
MW276.34 g/mol
LogP3.70
Rot. Bonds

About (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]

(4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene] (PubChem CID 102409270) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene].

Molecular Properties

Compound Name(4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]
PubChem CID102409270
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]
SMILESC#C[C@H]1C[C@@H](C)OC2(O1)c1ccccc1-c1ccccc12
InChIInChI=1S/C19H16O2/c1-3-14-12-13(2)20-19(21-14)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h1,4-11,13-14H,12H2,2H3/t13-,14+/m1/s1
InChIKeyXXUFTTIUNHFQEK-KGLIPLIRSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]?
The IUPAC name of (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene] (CID 102409270) is (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene].
What is the SMILES notation for (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]?
The canonical SMILES for (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene] is C#C[C@H]1C[C@@H](C)OC2(O1)c1ccccc1-c1ccccc12.
What is the InChIKey of (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]?
The InChIKey is XXUFTTIUNHFQEK-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H16O2/c1-3-14-12-13(2)20-19(21-14)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h1,4-11,13-14H,12H2,2H3/t13-,14+/m1/s1.
What are the key properties of (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene]?
(4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene] has a molecular weight of 276.34 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-ethynyl-6-methylspiro[1,3-dioxane-2,9'-fluorene] is sourced from PubChem (CID 102409270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).