(3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

C19H26O6 — CID 14411242

IUPAC(3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
SMILESCC1(C)O[C@H]2[C@@H](OCc3ccccc3)[C@@]3(COC(C)(C)O3)OC[C@H]2O1
InChIInChI=1S/C19H26O6/c1-17(2)22-12-19(25-17)16(20-10-13-8-6-5-7-9-13)15-14(11-21-19)23-18(3,4)24-15/h5-9,14-16H,10-12H2,1-4H3/t14-,15-,16-,19+/m1/s1
InChIKeyGBZJQFJFEFKLCF-NNFUDEMPSA-N
MW350.41 g/mol
LogP2.60
Rot. Bonds3

About (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

(3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (PubChem CID 14411242) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].

Molecular Properties

Compound Name(3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
PubChem CID14411242
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name(3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
SMILESCC1(C)O[C@H]2[C@@H](OCc3ccccc3)[C@@]3(COC(C)(C)O3)OC[C@H]2O1
InChIInChI=1S/C19H26O6/c1-17(2)22-12-19(25-17)16(20-10-13-8-6-5-7-9-13)15-14(11-21-19)23-18(3,4)24-15/h5-9,14-16H,10-12H2,1-4H3/t14-,15-,16-,19+/m1/s1
InChIKeyGBZJQFJFEFKLCF-NNFUDEMPSA-N
XLogP2.60
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The IUPAC name of (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (CID 14411242) is (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].
What is the SMILES notation for (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The canonical SMILES for (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is CC1(C)O[C@H]2[C@@H](OCc3ccccc3)[C@@]3(COC(C)(C)O3)OC[C@H]2O1.
What is the InChIKey of (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
The InChIKey is GBZJQFJFEFKLCF-NNFUDEMPSA-N. The full InChI is InChI=1S/C19H26O6/c1-17(2)22-12-19(25-17)16(20-10-13-8-6-5-7-9-13)15-14(11-21-19)23-18(3,4)24-15/h5-9,14-16H,10-12H2,1-4H3/t14-,15-,16-,19+/m1/s1.
What are the key properties of (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?
(3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] has a molecular weight of 350.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,4S,7'R,7'aR)-2,2,2',2'-tetramethyl-7'-phenylmethoxyspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is sourced from PubChem (CID 14411242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).