(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene

C17H22O3 — CID 11448727

IUPAC(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene
SMILESCC1(C)CCC[C@@]2(C)Oc3cc4c(cc3C[C@H]12)OCO4
InChIInChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)15(16)8-11-7-13-14(19-10-18-13)9-12(11)20-17/h7,9,15H,4-6,8,10H2,1-3H3/t15-,17-/m1/s1
InChIKeyAXEQWULTGMLAAS-NVXWUHKLSA-N
MW274.36 g/mol
LogP3.94
Rot. Bonds

About (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene

(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene (PubChem CID 11448727) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene.

Molecular Properties

Compound Name(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene
PubChem CID11448727
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene
SMILESCC1(C)CCC[C@@]2(C)Oc3cc4c(cc3C[C@H]12)OCO4
InChIInChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)15(16)8-11-7-13-14(19-10-18-13)9-12(11)20-17/h7,9,15H,4-6,8,10H2,1-3H3/t15-,17-/m1/s1
InChIKeyAXEQWULTGMLAAS-NVXWUHKLSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene with MolForge

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Related Compounds

2,3,5,5,8a-pentamethyl-4a,6,7,8-tetrahydro-4H-chromene
CID 573164
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-2-one
CID 12742959
1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
CID 10085530
(4aS,6aS,12aR,12bS)-11-chloro-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-9,10-diol
CID 10021720
(1R,2S,11S,14R,15S,19R,20S)-19-(2-hydroxyethyl)-1,11,15,19-tetramethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-6-ol
CID 11200774
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
(14S,15R,19S)-10-hydroxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.01,18.02,15.05,14.07,12]pentacosa-7(12),8,10-trien-20-one
CID 134959023
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 19873304
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
CID 7057250
(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydronaphtho[2,1-d][1,3]dioxin-3-one
CID 71580669
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685

Frequently Asked Questions

What is the IUPAC name of (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene?
The IUPAC name of (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene (CID 11448727) is (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene.
What is the SMILES notation for (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene?
The canonical SMILES for (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene is CC1(C)CCC[C@@]2(C)Oc3cc4c(cc3C[C@H]12)OCO4.
What is the InChIKey of (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene?
The InChIKey is AXEQWULTGMLAAS-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)15(16)8-11-7-13-14(19-10-18-13)9-12(11)20-17/h7,9,15H,4-6,8,10H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene?
(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene has a molecular weight of 274.36 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene is sourced from PubChem (CID 11448727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).