(3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]

C15H26O5 — CID 134439675

IUPAC(3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]
SMILESCC(C)[C@@]12OCC[C@]3(COC(C)(C)O3)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C15H26O5/c1-10(2)15-11(18-13(5,6)20-15)14(7-8-16-15)9-17-12(3,4)19-14/h10-11H,7-9H2,1-6H3/t11-,14-,15-/m0/s1
InChIKeyBHBITQHYRITTRF-CQDKDKBSSA-N
MW286.37 g/mol
LogP2.43
Rot. Bonds1

About (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]

(3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran] (PubChem CID 134439675) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran].

Molecular Properties

Compound Name(3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]
PubChem CID134439675
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name(3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]
SMILESCC(C)[C@@]12OCC[C@]3(COC(C)(C)O3)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C15H26O5/c1-10(2)15-11(18-13(5,6)20-15)14(7-8-16-15)9-17-12(3,4)19-14/h10-11H,7-9H2,1-6H3/t11-,14-,15-/m0/s1
InChIKeyBHBITQHYRITTRF-CQDKDKBSSA-N
XLogP2.43
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]?
The IUPAC name of (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran] (CID 134439675) is (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran].
What is the SMILES notation for (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]?
The canonical SMILES for (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran] is CC(C)[C@@]12OCC[C@]3(COC(C)(C)O3)[C@@H]1OC(C)(C)O2.
What is the InChIKey of (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]?
The InChIKey is BHBITQHYRITTRF-CQDKDKBSSA-N. The full InChI is InChI=1S/C15H26O5/c1-10(2)15-11(18-13(5,6)20-15)14(7-8-16-15)9-17-12(3,4)19-14/h10-11H,7-9H2,1-6H3/t11-,14-,15-/m0/s1.
What are the key properties of (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran]?
(3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran] has a molecular weight of 286.37 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aS,4S,7'aS)-2,2,2',2'-tetramethyl-3'a-propan-2-ylspiro[1,3-dioxolane-4,7'-6,7a-dihydro-5H-[1,3]dioxolo[4,5-b]pyran] is sourced from PubChem (CID 134439675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).