(3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene

C32H54 — CID 162903491

IUPAC(3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene
SMILESC=C[C@@](C)(/C=C/[C@@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C
InChIInChI=1S/C32H54/c1-12-32(11,23-14-17-28(7)19-21-31(10)26(4)5)24-22-29(8)16-13-15-27(6)18-20-30(9)25(2)3/h12,15,17,22,24,29-31H,1-2,4,13-14,16,18-21,23H2,3,5-11H3/b24-22+,27-15+,28-17+/t29-,30+,31+,32+/m0/s1
InChIKeyYIERDWVPDSIPLW-BJAZVOHESA-N
MW438.78 g/mol
LogP10.81
Rot. Bonds17

About (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene

(3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene (PubChem CID 162903491) has the molecular formula C32H54 and a molecular weight of 438.78 g/mol. Its IUPAC name is (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene.

Molecular Properties

Compound Name(3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene
PubChem CID162903491
Molecular FormulaC32H54
Molecular Weight438.78 g/mol
Exact Mass438.42
IUPAC Name(3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene
SMILESC=C[C@@](C)(/C=C/[C@@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C
InChIInChI=1S/C32H54/c1-12-32(11,23-14-17-28(7)19-21-31(10)26(4)5)24-22-29(8)16-13-15-27(6)18-20-30(9)25(2)3/h12,15,17,22,24,29-31H,1-2,4,13-14,16,18-21,23H2,3,5-11H3/b24-22+,27-15+,28-17+/t29-,30+,31+,32+/m0/s1
InChIKeyYIERDWVPDSIPLW-BJAZVOHESA-N
XLogP10.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.78
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene?
The IUPAC name of (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene (CID 162903491) is (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene.
What is the SMILES notation for (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene?
The canonical SMILES for (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene is C=C[C@@](C)(/C=C/[C@@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C.
What is the InChIKey of (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene?
The InChIKey is YIERDWVPDSIPLW-BJAZVOHESA-N. The full InChI is InChI=1S/C32H54/c1-12-32(11,23-14-17-28(7)19-21-31(10)26(4)5)24-22-29(8)16-13-15-27(6)18-20-30(9)25(2)3/h12,15,17,22,24,29-31H,1-2,4,13-14,16,18-21,23H2,3,5-11H3/b24-22+,27-15+,28-17+/t29-,30+,31+,32+/m0/s1.
What are the key properties of (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene?
(3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene has a molecular weight of 438.78 g/mol, XLogP of 10.81, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6E,10S,11E,13S,16E,20R)-10-ethenyl-2,3,6,10,13,17,20,21-octamethyldocosa-1,6,11,16,21-pentaene is sourced from PubChem (CID 162903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).