(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene

C20H26 — CID 15351281

IUPAC(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene
SMILESC1=C[C@H]2CC[C@@H]1[C@H]1C3CCC([C@H]12)[C@H]1[C@@H]3[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C20H26/c1-2-12-4-3-11(1)17-15-9-10-16(18(12)17)20-14-7-5-13(6-8-14)19(15)20/h1-2,5,7,11-20H,3-4,6,8-10H2/t11-,12+,13+,14-,15?,16?,17+,18-,19-,20+
InChIKeyYXHZXCNXHUDSAY-ADKOFPOVSA-N
MW266.43 g/mol
LogP4.68
Rot. Bonds

About (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene

(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene (PubChem CID 15351281) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene.

Molecular Properties

Compound Name(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene
PubChem CID15351281
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene
SMILESC1=C[C@H]2CC[C@@H]1[C@H]1C3CCC([C@H]12)[C@H]1[C@@H]3[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C20H26/c1-2-12-4-3-11(1)17-15-9-10-16(18(12)17)20-14-7-5-13(6-8-14)19(15)20/h1-2,5,7,11-20H,3-4,6,8-10H2/t11-,12+,13+,14-,15?,16?,17+,18-,19-,20+
InChIKeyYXHZXCNXHUDSAY-ADKOFPOVSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene?
The IUPAC name of (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene (CID 15351281) is (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene.
What is the SMILES notation for (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene?
The canonical SMILES for (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene is C1=C[C@H]2CC[C@@H]1[C@H]1C3CCC([C@H]12)[C@H]1[C@@H]3[C@H]2C=C[C@@H]1CC2.
What is the InChIKey of (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene?
The InChIKey is YXHZXCNXHUDSAY-ADKOFPOVSA-N. The full InChI is InChI=1S/C20H26/c1-2-12-4-3-11(1)17-15-9-10-16(18(12)17)20-14-7-5-13(6-8-14)19(15)20/h1-2,5,7,11-20H,3-4,6,8-10H2/t11-,12+,13+,14-,15?,16?,17+,18-,19-,20+.
What are the key properties of (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene?
(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene has a molecular weight of 266.43 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene is sourced from PubChem (CID 15351281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).