(3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene

C16H22O3 — CID 11054487

IUPAC(3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene
SMILESCOc1ccc2c(c1OC)[C@@H]1CCC[C@H]1C(C)(C)O2
InChIInChI=1S/C16H22O3/c1-16(2)11-7-5-6-10(11)14-12(19-16)8-9-13(17-3)15(14)18-4/h8-11H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyKKKHTNUYXYMJTA-GHMZBOCLSA-N
MW262.35 g/mol
LogP3.76
Rot. Bonds2

About (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene

(3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene (PubChem CID 11054487) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene.

Molecular Properties

Compound Name(3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene
PubChem CID11054487
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene
SMILESCOc1ccc2c(c1OC)[C@@H]1CCC[C@H]1C(C)(C)O2
InChIInChI=1S/C16H22O3/c1-16(2)11-7-5-6-10(11)14-12(19-16)8-9-13(17-3)15(14)18-4/h8-11H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyKKKHTNUYXYMJTA-GHMZBOCLSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene with MolForge

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Related Compounds

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(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 101012026
7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331887
6-(2-methoxy-5-methylphenyl)bicyclo[3.1.0]hexan-6-ol
CID 79332087
5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol
CID 82187518
2-[6-[4-[2-(1,3-dioxan-2-yl)-3,4-dimethoxyphenyl]naphthalen-1-yl]-2,3-dimethoxyphenyl]-1,3-dioxane
CID 10555113
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
(6aS,10aS)-1-methoxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
CID 21120669
2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 82462392
(6aR,9R,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-2-carboxylic acid
CID 110144355
2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
CID 103523805

Frequently Asked Questions

What is the IUPAC name of (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene?
The IUPAC name of (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene (CID 11054487) is (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene.
What is the SMILES notation for (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene?
The canonical SMILES for (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene is COc1ccc2c(c1OC)[C@@H]1CCC[C@H]1C(C)(C)O2.
What is the InChIKey of (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene?
The InChIKey is KKKHTNUYXYMJTA-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2)11-7-5-6-10(11)14-12(19-16)8-9-13(17-3)15(14)18-4/h8-11H,5-7H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene?
(3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene has a molecular weight of 262.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bR)-8,9-dimethoxy-4,4-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]chromene is sourced from PubChem (CID 11054487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).