(2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene

C23H24O — CID 10519498

IUPAC(2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene
SMILESCC12C3C4=C(CC=CC4)C1[C@@]14CC=CC[C@@]1(O4)C2C1=C3CC=CC1
InChIInChI=1S/C23H24O/c1-21-18-14-8-2-4-10-16(14)19(21)22-12-6-7-13-23(22,24-22)20(21)17-11-5-3-9-15(17)18/h2-7,18-20H,8-13H2,1H3/t18?,19?,20?,21?,22-,23+
InChIKeyGMJYADHVLOTZJW-FLLLSTGNSA-N
MW316.44 g/mol
LogP5.03
Rot. Bonds

About (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene

(2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene (PubChem CID 10519498) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene.

Molecular Properties

Compound Name(2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene
PubChem CID10519498
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name(2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene
SMILESCC12C3C4=C(CC=CC4)C1[C@@]14CC=CC[C@@]1(O4)C2C1=C3CC=CC1
InChIInChI=1S/C23H24O/c1-21-18-14-8-2-4-10-16(14)19(21)22-12-6-7-13-23(22,24-22)20(21)17-11-5-3-9-15(17)18/h2-7,18-20H,8-13H2,1H3/t18?,19?,20?,21?,22-,23+
InChIKeyGMJYADHVLOTZJW-FLLLSTGNSA-N
XLogP5.03
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene?
The IUPAC name of (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene (CID 10519498) is (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene.
What is the SMILES notation for (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene?
The canonical SMILES for (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene is CC12C3C4=C(CC=CC4)C1[C@@]14CC=CC[C@@]1(O4)C2C1=C3CC=CC1.
What is the InChIKey of (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene?
The InChIKey is GMJYADHVLOTZJW-FLLLSTGNSA-N. The full InChI is InChI=1S/C23H24O/c1-21-18-14-8-2-4-10-16(14)19(21)22-12-6-7-13-23(22,24-22)20(21)17-11-5-3-9-15(17)18/h2-7,18-20H,8-13H2,1H3/t18?,19?,20?,21?,22-,23+.
What are the key properties of (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene?
(2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene has a molecular weight of 316.44 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-22-methyl-23-oxaheptacyclo[13.6.1.12,7.02,7.08,22.09,14.016,21]tricosa-4,9(14),11,16(21),18-pentaene is sourced from PubChem (CID 10519498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).