6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane

C28H41NO6 — CID 46900270

IUPAC6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane
SMILESCOCOc1cc(CN2C3CC4CC2CC(C3)O4)cc2c1[C@@H]1C[C@H](OCOC)CC[C@H]1C(C)(C)O2
InChIInChI=1S/C28H41NO6/c1-28(2)24-6-5-20(32-15-30-3)13-23(24)27-25(33-16-31-4)7-17(8-26(27)35-28)14-29-18-9-21-11-19(29)12-22(10-18)34-21/h7-8,18-24H,5-6,9-16H2,1-4H3/t18?,19?,20-,21?,22?,23-,24-/m1/s1
InChIKeyUUTBWTBZNCJHNE-DCNHLDODSA-N
MW487.64 g/mol
LogP4.61
Rot. Bonds8

About 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane

6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane (PubChem CID 46900270) has the molecular formula C28H41NO6 and a molecular weight of 487.64 g/mol. Its IUPAC name is 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane
PubChem CID46900270
Molecular FormulaC28H41NO6
Molecular Weight487.64 g/mol
Exact Mass487.29
IUPAC Name6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane
SMILESCOCOc1cc(CN2C3CC4CC2CC(C3)O4)cc2c1[C@@H]1C[C@H](OCOC)CC[C@H]1C(C)(C)O2
InChIInChI=1S/C28H41NO6/c1-28(2)24-6-5-20(32-15-30-3)13-23(24)27-25(33-16-31-4)7-17(8-26(27)35-28)14-29-18-9-21-11-19(29)12-22(10-18)34-21/h7-8,18-24H,5-6,9-16H2,1-4H3/t18?,19?,20-,21?,22?,23-,24-/m1/s1
InChIKeyUUTBWTBZNCJHNE-DCNHLDODSA-N
XLogP4.61
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-3-carboxylic acid
CID 46899951
[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]-pyridin-3-ylmethanone
CID 66552067
[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]-(1,3-thiazol-4-yl)methanone
CID 66552064
(6aS,9S,10aS)-1-(methoxymethoxy)-6,6,9-trimethyl-3-[(E)-2-phenylethenyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene
CID 101333164
(6aR,9S,10aR)-1-methoxy-6,6-dimethyl-3-(2-methylheptan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-ol
CID 11660778
(6aR,10aR)-1-[2-[[(6aR,9R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-yl]oxy]ethoxy]-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene
CID 172870152
(6aS,10aS)-1-methoxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
CID 21120669
2-[(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]acetic acid
CID 155566626
(6aS,9S,10aS)-6,6-dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
CID 90678799
(1-hydroxy-6,6-dimethyl-3-pent-3-en-2-yl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-yl) propanoate
CID 57096757
(6aR,9R,10aR)-6,6-dimethyl-3-(2-methylnonan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
CID 156558015
4-[[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl]oxy]butan-1-amine
CID 15114758

Frequently Asked Questions

What is the IUPAC name of 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane (CID 46900270) is 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane is COCOc1cc(CN2C3CC4CC2CC(C3)O4)cc2c1[C@@H]1C[C@H](OCOC)CC[C@H]1C(C)(C)O2.
What is the InChIKey of 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane?
The InChIKey is UUTBWTBZNCJHNE-DCNHLDODSA-N. The full InChI is InChI=1S/C28H41NO6/c1-28(2)24-6-5-20(32-15-30-3)13-23(24)27-25(33-16-31-4)7-17(8-26(27)35-28)14-29-18-9-21-11-19(29)12-22(10-18)34-21/h7-8,18-24H,5-6,9-16H2,1-4H3/t18?,19?,20-,21?,22?,23-,24-/m1/s1.
What are the key properties of 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane?
6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane has a molecular weight of 487.64 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]methyl]-2-oxa-6-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 46900270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).