(2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran

C12H22O4 — CID 11276279

IUPAC(2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESCO[C@]1(C)CC[C@@H]2O[C@@](C)(OC)CC[C@H]2O1
InChIInChI=1S/C12H22O4/c1-11(13-3)7-5-10-9(15-11)6-8-12(2,14-4)16-10/h9-10H,5-8H2,1-4H3/t9-,10+,11+,12-
InChIKeyBHCCWEDEKNEZDN-IWDIQUIJSA-N
MW230.30 g/mol
LogP2.07
Rot. Bonds2

About (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran

(2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran (PubChem CID 11276279) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
PubChem CID11276279
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESCO[C@]1(C)CC[C@@H]2O[C@@](C)(OC)CC[C@H]2O1
InChIInChI=1S/C12H22O4/c1-11(13-3)7-5-10-9(15-11)6-8-12(2,14-4)16-10/h9-10H,5-8H2,1-4H3/t9-,10+,11+,12-
InChIKeyBHCCWEDEKNEZDN-IWDIQUIJSA-N
XLogP2.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
The IUPAC name of (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran (CID 11276279) is (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran.
What is the SMILES notation for (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
The canonical SMILES for (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran is CO[C@]1(C)CC[C@@H]2O[C@@](C)(OC)CC[C@H]2O1.
What is the InChIKey of (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
The InChIKey is BHCCWEDEKNEZDN-IWDIQUIJSA-N. The full InChI is InChI=1S/C12H22O4/c1-11(13-3)7-5-10-9(15-11)6-8-12(2,14-4)16-10/h9-10H,5-8H2,1-4H3/t9-,10+,11+,12-.
What are the key properties of (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran?
(2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran has a molecular weight of 230.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,8aS)-2,6-dimethoxy-2,6-dimethyl-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran is sourced from PubChem (CID 11276279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).