(6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene

C40H68 — CID 155804418

IUPAC(6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
SMILESCC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1
InChIKeyNNAMSNGZQLVMQY-GAPQENEMSA-N
MW548.98 g/mol
LogP14.14
Rot. Bonds22

About (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene

(6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene (PubChem CID 155804418) has the molecular formula C40H68 and a molecular weight of 548.98 g/mol. Its IUPAC name is (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene.

Molecular Properties

Compound Name(6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
PubChem CID155804418
Molecular FormulaC40H68
Molecular Weight548.98 g/mol
Exact Mass548.53
IUPAC Name(6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
SMILESCC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1
InChIKeyNNAMSNGZQLVMQY-GAPQENEMSA-N
XLogP14.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.98
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene with MolForge

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Related Compounds

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alpha-Bisabolene
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alpha-Camphorene
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(+)-germacrene A
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(-)-Cembrene A
CID 5281384
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alpha-Bisabolene, (E)-
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(-)-beta-Curcumene
CID 14014430

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene?
The IUPAC name of (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene (CID 155804418) is (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene.
What is the SMILES notation for (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene?
The canonical SMILES for (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene is CC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene?
The InChIKey is NNAMSNGZQLVMQY-GAPQENEMSA-N. The full InChI is InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1.
What are the key properties of (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene?
(6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene has a molecular weight of 548.98 g/mol, XLogP of 14.14, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E,22E,26E,30R)-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene is sourced from PubChem (CID 155804418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).