3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene

C32H62 — CID 91569946

IUPAC3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene
SMILESCCCCCCCCCC=CC(C)CC(C)C=CCC(C)C(C)(C)C(C)C(C)C(C)CC
InChIInChI=1S/C32H62/c1-11-13-14-15-16-17-18-19-20-22-26(3)25-27(4)23-21-24-29(6)32(9,10)31(8)30(7)28(5)12-2/h20-23,26-31H,11-19,24-25H2,1-10H3
InChIKeyDSENJGHEDPYEFW-UHFFFAOYSA-N
MW446.85 g/mol
LogP11.27
Rot. Bonds19

About 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene

3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene (PubChem CID 91569946) has the molecular formula C32H62 and a molecular weight of 446.85 g/mol. Its IUPAC name is 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene.

Molecular Properties

Compound Name3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene
PubChem CID91569946
Molecular FormulaC32H62
Molecular Weight446.85 g/mol
Exact Mass446.49
IUPAC Name3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene
SMILESCCCCCCCCCC=CC(C)CC(C)C=CCC(C)C(C)(C)C(C)C(C)C(C)CC
InChIInChI=1S/C32H62/c1-11-13-14-15-16-17-18-19-20-22-26(3)25-27(4)23-21-24-29(6)32(9,10)31(8)30(7)28(5)12-2/h20-23,26-31H,11-19,24-25H2,1-10H3
InChIKeyDSENJGHEDPYEFW-UHFFFAOYSA-N
XLogP11.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.85
LogP ≤ 511.27
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

3-methyltetradec-4-ene
CID 123180851
(E)-3-methyldec-4-ene
CID 5364642
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
(E)-3-methylnon-4-ene
CID 13082837
4,5-dimethylicos-6-ene
CID 72645531
3-ethyl-6-methyltridec-7-ene-2,4-diol
CID 175158260
7-methylhexadec-5-ene
CID 150059561
(E)-3-methylundec-4-en-1-ol
CID 121006781
(E)-2-bromonon-3-ene
CID 88753535

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene?
The IUPAC name of 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene (CID 91569946) is 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene.
What is the SMILES notation for 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene?
The canonical SMILES for 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene is CCCCCCCCCC=CC(C)CC(C)C=CCC(C)C(C)(C)C(C)C(C)C(C)CC.
What is the InChIKey of 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene?
The InChIKey is DSENJGHEDPYEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62/c1-11-13-14-15-16-17-18-19-20-22-26(3)25-27(4)23-21-24-29(6)32(9,10)31(8)30(7)28(5)12-2/h20-23,26-31H,11-19,24-25H2,1-10H3.
What are the key properties of 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene?
3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene has a molecular weight of 446.85 g/mol, XLogP of 11.27, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,6,7,11,13-octamethyltetracosa-9,14-diene is sourced from PubChem (CID 91569946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).