(1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene

C24H32 — CID 46919073

IUPAC(1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene
SMILESCC1=C(C)[C@]23CC[C@]45C[C@H]4[C@H]4C[C@@]4(CC[C@]14C[C@@H]4[C@@H]2C3)C(C)=C5C
InChIInChI=1S/C24H32/c1-13-14(2)22-7-8-24-12-20(24)19-11-23(19,15(3)16(24)4)6-5-21(13)9-17(21)18(22)10-22/h17-20H,5-12H2,1-4H3/t17-,18+,19-,20+,21+,22-,23+,24-
InChIKeyPRBQTXJJMXEKLK-OUMJIQPGSA-N
MW320.52 g/mol
LogP6.29
Rot. Bonds

About (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene

(1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene (PubChem CID 46919073) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene.

Molecular Properties

Compound Name(1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene
PubChem CID46919073
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name(1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene
SMILESCC1=C(C)[C@]23CC[C@]45C[C@H]4[C@H]4C[C@@]4(CC[C@]14C[C@@H]4[C@@H]2C3)C(C)=C5C
InChIInChI=1S/C24H32/c1-13-14(2)22-7-8-24-12-20(24)19-11-23(19,15(3)16(24)4)6-5-21(13)9-17(21)18(22)10-22/h17-20H,5-12H2,1-4H3/t17-,18+,19-,20+,21+,22-,23+,24-
InChIKeyPRBQTXJJMXEKLK-OUMJIQPGSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene?
The IUPAC name of (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene (CID 46919073) is (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene.
What is the SMILES notation for (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene?
The canonical SMILES for (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene is CC1=C(C)[C@]23CC[C@]45C[C@H]4[C@H]4C[C@@]4(CC[C@]14C[C@@H]4[C@@H]2C3)C(C)=C5C.
What is the InChIKey of (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene?
The InChIKey is PRBQTXJJMXEKLK-OUMJIQPGSA-N. The full InChI is InChI=1S/C24H32/c1-13-14(2)22-7-8-24-12-20(24)19-11-23(19,15(3)16(24)4)6-5-21(13)9-17(21)18(22)10-22/h17-20H,5-12H2,1-4H3/t17-,18+,19-,20+,21+,22-,23+,24-.
What are the key properties of (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene?
(1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene has a molecular weight of 320.52 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene is sourced from PubChem (CID 46919073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).