(6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene

C40H72 — CID 131841484

IUPAC(6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C40H72/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19,21-22,27,29,34,38,40H,11-18,20,23-26,28,30-32H2,1-10H3/b35-21+,36-22+,37-27+,39-29+/t38-,40+/m1/s1
InChIKeyUKCLJWRKPGPSLL-NGXRMTJOSA-N
MW553.02 g/mol
LogP14.30
Rot. Bonds24

About (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene

(6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene (PubChem CID 131841484) has the molecular formula C40H72 and a molecular weight of 553.02 g/mol. Its IUPAC name is (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene.

Molecular Properties

Compound Name(6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene
PubChem CID131841484
Molecular FormulaC40H72
Molecular Weight553.02 g/mol
Exact Mass552.56
IUPAC Name(6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C40H72/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19,21-22,27,29,34,38,40H,11-18,20,23-26,28,30-32H2,1-10H3/b35-21+,36-22+,37-27+,39-29+/t38-,40+/m1/s1
InChIKeyUKCLJWRKPGPSLL-NGXRMTJOSA-N
XLogP14.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.02
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Beta-Bisabolene
CID 10104370
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Camphorene
CID 101750
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
beta-Terpinene
CID 66841
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
Casbene
CID 5280437
(14E,18E)-lycopadiene
CID 13889926
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
m-Camphorene
CID 5315649
Npc44581
CID 11747713

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene?
The IUPAC name of (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene (CID 131841484) is (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene.
What is the SMILES notation for (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene?
The canonical SMILES for (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene?
The InChIKey is UKCLJWRKPGPSLL-NGXRMTJOSA-N. The full InChI is InChI=1S/C40H72/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19,21-22,27,29,34,38,40H,11-18,20,23-26,28,30-32H2,1-10H3/b35-21+,36-22+,37-27+,39-29+/t38-,40+/m1/s1.
What are the key properties of (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene?
(6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene has a molecular weight of 553.02 g/mol, XLogP of 14.30, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E,23R,27R)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18-pentaene is sourced from PubChem (CID 131841484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).