2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene

C44H72 — CID 162885460

IUPAC2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene
SMILESC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C44H72/c1-36(2)20-12-22-38(5)24-14-26-40(7)28-16-30-42(9)32-18-34-44(11)35-19-33-43(10)31-17-29-41(8)27-15-25-39(6)23-13-21-37(3)4/h21-22,25-26,29-30,33-34H,1,12-20,23-24,27-28,31-32,35H2,2-11H3
InChIKeyXWMBVZQDSHLHIR-UHFFFAOYSA-N
MW601.06 g/mol
LogP15.39
Rot. Bonds24

About 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene

2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene (PubChem CID 162885460) has the molecular formula C44H72 and a molecular weight of 601.06 g/mol. Its IUPAC name is 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene.

Molecular Properties

Compound Name2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene
PubChem CID162885460
Molecular FormulaC44H72
Molecular Weight601.06 g/mol
Exact Mass600.56
IUPAC Name2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene
SMILESC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C44H72/c1-36(2)20-12-22-38(5)24-14-26-40(7)28-16-30-42(9)32-18-34-44(11)35-19-33-43(10)31-17-29-41(8)27-15-25-39(6)23-13-21-37(3)4/h21-22,25-26,29-30,33-34H,1,12-20,23-24,27-28,31-32,35H2,2-11H3
InChIKeyXWMBVZQDSHLHIR-UHFFFAOYSA-N
XLogP15.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.06
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 446925
Squalene
CID 638072
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Geraniolene
CID 81203
xi-Carotene
CID 5280788
Neurosporene
CID 5280789
15-cis-Phytoene
CID 9963391
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 1105
1,5-Cyclooctadiene, 1,5-dimethyl-
CID 5365758
15,9'-Di-cis-phytofluene
CID 51351778

Frequently Asked Questions

What is the IUPAC name of 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene?
The IUPAC name of 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene (CID 162885460) is 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene.
What is the SMILES notation for 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene?
The canonical SMILES for 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene is C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene?
The InChIKey is XWMBVZQDSHLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H72/c1-36(2)20-12-22-38(5)24-14-26-40(7)28-16-30-42(9)32-18-34-44(11)35-19-33-43(10)31-17-29-41(8)27-15-25-39(6)23-13-21-37(3)4/h21-22,25-26,29-30,33-34H,1,12-20,23-24,27-28,31-32,35H2,2-11H3.
What are the key properties of 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene?
2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene has a molecular weight of 601.06 g/mol, XLogP of 15.39, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene is sourced from PubChem (CID 162885460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).