(19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene

C24H22O — CID 101102467

IUPAC(19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene
SMILESCC12C=CC(C)(O1)C1=C2C2=CC=CC3=CC=C4C=CC=C1[C@]4(C)[C@@]32C
InChIInChI=1S/C24H22O/c1-21-13-14-22(2,25-21)20-18-10-6-8-16-12-11-15-7-5-9-17(19(20)21)23(15,3)24(16,18)4/h5-14H,1-4H3/t21?,22?,23-,24+
InChIKeyXNMVXNMKCNXIKP-ULBZPVTCSA-N
MW326.44 g/mol
LogP5.29
Rot. Bonds

About (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene

(19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene (PubChem CID 101102467) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene.

Molecular Properties

Compound Name(19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene
PubChem CID101102467
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name(19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene
SMILESCC12C=CC(C)(O1)C1=C2C2=CC=CC3=CC=C4C=CC=C1[C@]4(C)[C@@]32C
InChIInChI=1S/C24H22O/c1-21-13-14-22(2,25-21)20-18-10-6-8-16-12-11-15-7-5-9-17(19(20)21)23(15,3)24(16,18)4/h5-14H,1-4H3/t21?,22?,23-,24+
InChIKeyXNMVXNMKCNXIKP-ULBZPVTCSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene?
The IUPAC name of (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene (CID 101102467) is (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene.
What is the SMILES notation for (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene?
The canonical SMILES for (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene is CC12C=CC(C)(O1)C1=C2C2=CC=CC3=CC=C4C=CC=C1[C@]4(C)[C@@]32C.
What is the InChIKey of (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene?
The InChIKey is XNMVXNMKCNXIKP-ULBZPVTCSA-N. The full InChI is InChI=1S/C24H22O/c1-21-13-14-22(2,25-21)20-18-10-6-8-16-12-11-15-7-5-9-17(19(20)21)23(15,3)24(16,18)4/h5-14H,1-4H3/t21?,22?,23-,24+.
What are the key properties of (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene?
(19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene has a molecular weight of 326.44 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (19R,20S)-3,6,19,20-tetramethyl-21-oxahexacyclo[10.6.2.13,6.02,7.08,20.015,19]henicosa-1(18),2(7),4,8,10,12,14,16-octaene is sourced from PubChem (CID 101102467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).