(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene

C15H20O3 — CID 101012026

IUPAC(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESCOc1cccc2c1OC(C)(C)[C@H]1CCCO[C@H]21
InChIInChI=1S/C15H20O3/c1-15(2)11-7-5-9-17-13(11)10-6-4-8-12(16-3)14(10)18-15/h4,6,8,11,13H,5,7,9H2,1-3H3/t11-,13+/m0/s1
InChIKeyXURIAQDAUKAVES-WCQYABFASA-N
MW248.32 g/mol
LogP3.33
Rot. Bonds1

About (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene

(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene (PubChem CID 101012026) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene.

Molecular Properties

Compound Name(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
PubChem CID101012026
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
SMILESCOc1cccc2c1OC(C)(C)[C@H]1CCCO[C@H]21
InChIInChI=1S/C15H20O3/c1-15(2)11-7-5-9-17-13(11)10-6-4-8-12(16-3)14(10)18-15/h4,6,8,11,13H,5,7,9H2,1-3H3/t11-,13+/m0/s1
InChIKeyXURIAQDAUKAVES-WCQYABFASA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene with MolForge

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Related Compounds

(4aS,10bS)-7-methoxy-1'-morpholin-4-ylsulfonylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]
CID 110144148
1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-aminoethanone
CID 110143933
[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110144033
N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide
CID 110144108
1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one
CID 110144088
(2R)-2-amino-1-[(1R,10R,12S,17R)-6-methoxy-9,9-dimethyl-8,18-dioxa-14-azatetracyclo[8.8.0.02,7.012,17]octadeca-2(7),3,5-trien-14-yl]propan-1-one
CID 110144362
(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene
CID 11334506
[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone
CID 110142618
5-[[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]methyl]-N-methylpyrimidin-2-amine
CID 110142709
[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(1H-imidazol-5-yl)methanone
CID 110142590
(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
CID 134882559
(17Z)-17-(1-hydroxyethylidene)-4-methoxy-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
CID 54711717

Frequently Asked Questions

What is the IUPAC name of (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The IUPAC name of (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene (CID 101012026) is (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene.
What is the SMILES notation for (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The canonical SMILES for (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene is COc1cccc2c1OC(C)(C)[C@H]1CCCO[C@H]21.
What is the InChIKey of (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
The InChIKey is XURIAQDAUKAVES-WCQYABFASA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2)11-7-5-9-17-13(11)10-6-4-8-12(16-3)14(10)18-15/h4,6,8,11,13H,5,7,9H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene?
(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene has a molecular weight of 248.32 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene is sourced from PubChem (CID 101012026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).