tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol

C62H69N3O8 — CID 158707253

About tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol

tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol (PubChem CID 158707253) has the molecular formula C62H69N3O8 and a molecular weight of 984.25 g/mol. Its IUPAC name is tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol.

Molecular Properties

• Compound Name: tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol
• PubChem CID: 158707253
• Molecular Formula: C62H69N3O8
• Molecular Weight: 984.25 g/mol
• Exact Mass: 983.51
• IUPAC Name: tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol
• SMILES: CC(C)(C)OC(=O)OC1C=CCOC1.Cc1ccc2[nH]c3ccc(C)cc3c2c1.Cc1ccc2c(c1)c1cc(C)ccc1n2[C@@H]1C=CCOC1.Cc1ccc2c(c1)c1cc(C)ccc1n2[C@H]1COC[C@H](O)[C@@H]1O
• InChI: InChI=1S/C19H21NO3.C19H19NO.C14H13N.C10H16O4/c1-11-3-5-15-13(7-11)14-8-12(2)4-6-16(14)20(15)17-9-23-10-18(21)19(17)22;1-13-5-7-18-16(10-13)17-11-14(2)6-8-19(17)20(18)15-4-3-9-21-12-15;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-10(2,3)14-9(11)13-8-5-4-6-12-7-8/h3-8,17-19,21-22H,9-10H2,1-2H3;3-8,10-11,15H,9,12H2,1-2H3;3-8,15H,1-2H3;4-5,8H,6-7H2,1-3H3/t17-,18-,19+;15-;;/m01../s1
• InChIKey: IIGPMZGCLRXATG-NMSWYVDTSA-N
• XLogP: 13.07
• TPSA: 129.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.25
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol?

The IUPAC name of tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol (CID 158707253) is tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol.

What is the SMILES notation for tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol?

The canonical SMILES for tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol is CC(C)(C)OC(=O)OC1C=CCOC1.Cc1ccc2[nH]c3ccc(C)cc3c2c1.Cc1ccc2c(c1)c1cc(C)ccc1n2[C@@H]1C=CCOC1.Cc1ccc2c(c1)c1cc(C)ccc1n2[C@H]1COC[C@H](O)[C@@H]1O.

What is the InChIKey of tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol?

The InChIKey is IIGPMZGCLRXATG-NMSWYVDTSA-N. The full InChI is InChI=1S/C19H21NO3.C19H19NO.C14H13N.C10H16O4/c1-11-3-5-15-13(7-11)14-8-12(2)4-6-16(14)20(15)17-9-23-10-18(21)19(17)22;1-13-5-7-18-16(10-13)17-11-14(2)6-8-19(17)20(18)15-4-3-9-21-12-15;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-10(2,3)14-9(11)13-8-5-4-6-12-7-8/h3-8,17-19,21-22H,9-10H2,1-2H3;3-8,10-11,15H,9,12H2,1-2H3;3-8,15H,1-2H3;4-5,8H,6-7H2,1-3H3/t17-,18-,19+;15-;;/m01../s1.

What are the key properties of tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol?

tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol has a molecular weight of 984.25 g/mol, XLogP of 13.07, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3,6-dihydro-2H-pyran-3-yl carbonate;9-[(3R)-3,6-dihydro-2H-pyran-3-yl]-3,6-dimethylcarbazole;3,6-dimethyl-9H-carbazole;(3S,4R,5S)-5-(3,6-dimethylcarbazol-9-yl)oxane-3,4-diol is sourced from PubChem (CID 158707253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).