(2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one

C15H24O6 — CID 10494451

IUPAC(2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
SMILESCCCC1(CCC)O[C@@H]2CO[C@]3(COCCO3)C(=O)[C@@H]2O1
InChIInChI=1S/C15H24O6/c1-3-5-14(6-4-2)20-11-9-19-15(10-17-7-8-18-15)13(16)12(11)21-14/h11-12H,3-10H2,1-2H3/t11-,12-,15-/m1/s1
InChIKeyVZJUYFTVTYYZSH-LALPHHSUSA-N
MW300.35 g/mol
LogP1.41
Rot. Bonds4

About (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one

(2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one (PubChem CID 10494451) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one.

Molecular Properties

Compound Name(2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
PubChem CID10494451
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
SMILESCCCC1(CCC)O[C@@H]2CO[C@]3(COCCO3)C(=O)[C@@H]2O1
InChIInChI=1S/C15H24O6/c1-3-5-14(6-4-2)20-11-9-19-15(10-17-7-8-18-15)13(16)12(11)21-14/h11-12H,3-10H2,1-2H3/t11-,12-,15-/m1/s1
InChIKeyVZJUYFTVTYYZSH-LALPHHSUSA-N
XLogP1.41
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The IUPAC name of (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one (CID 10494451) is (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one.
What is the SMILES notation for (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The canonical SMILES for (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one is CCCC1(CCC)O[C@@H]2CO[C@]3(COCCO3)C(=O)[C@@H]2O1.
What is the InChIKey of (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The InChIKey is VZJUYFTVTYYZSH-LALPHHSUSA-N. The full InChI is InChI=1S/C15H24O6/c1-3-5-14(6-4-2)20-11-9-19-15(10-17-7-8-18-15)13(16)12(11)21-14/h11-12H,3-10H2,1-2H3/t11-,12-,15-/m1/s1.
What are the key properties of (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
(2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one has a molecular weight of 300.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'aR,7'aR)-2',2'-dipropylspiro[1,4-dioxane-2,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one is sourced from PubChem (CID 10494451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).