(6E,15E)-11-methylhenicosa-6,15-diene

C22H42 — CID 175445271

IUPAC(6E,15E)-11-methylhenicosa-6,15-diene
SMILESCCCCC/C=C/CCCC(C)CCC/C=C/CCCCC
InChIInChI=1S/C22H42/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h12-15,22H,4-11,16-21H2,1-3H3/b14-12+,15-13+
InChIKeySNGKZNNYFUDRAF-QUMQEAAQSA-N
MW306.58 g/mol
LogP8.24
Rot. Bonds16

About (6E,15E)-11-methylhenicosa-6,15-diene

(6E,15E)-11-methylhenicosa-6,15-diene (PubChem CID 175445271) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is (6E,15E)-11-methylhenicosa-6,15-diene.

Molecular Properties

Compound Name(6E,15E)-11-methylhenicosa-6,15-diene
PubChem CID175445271
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name(6E,15E)-11-methylhenicosa-6,15-diene
SMILESCCCCC/C=C/CCCC(C)CCC/C=C/CCCCC
InChIInChI=1S/C22H42/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h12-15,22H,4-11,16-21H2,1-3H3/b14-12+,15-13+
InChIKeySNGKZNNYFUDRAF-QUMQEAAQSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 58.24
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

(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
5-methylheptadec-8-ene
CID 162470798
(E)-20-methyloctacos-4-ene
CID 173194294
(E)-10,15-dimethyltricos-3-ene
CID 173194599
9,16-dimethyltetracos-11-ene
CID 123705440
8-methyltridec-2-ene
CID 154258032
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(E)-10-methyloctadec-7-ene
CID 173194246
(E)-5-methyltetradec-7-ene
CID 173194503

Frequently Asked Questions

What is the IUPAC name of (6E,15E)-11-methylhenicosa-6,15-diene?
The IUPAC name of (6E,15E)-11-methylhenicosa-6,15-diene (CID 175445271) is (6E,15E)-11-methylhenicosa-6,15-diene.
What is the SMILES notation for (6E,15E)-11-methylhenicosa-6,15-diene?
The canonical SMILES for (6E,15E)-11-methylhenicosa-6,15-diene is CCCCC/C=C/CCCC(C)CCC/C=C/CCCCC.
What is the InChIKey of (6E,15E)-11-methylhenicosa-6,15-diene?
The InChIKey is SNGKZNNYFUDRAF-QUMQEAAQSA-N. The full InChI is InChI=1S/C22H42/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h12-15,22H,4-11,16-21H2,1-3H3/b14-12+,15-13+.
What are the key properties of (6E,15E)-11-methylhenicosa-6,15-diene?
(6E,15E)-11-methylhenicosa-6,15-diene has a molecular weight of 306.58 g/mol, XLogP of 8.24, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,15E)-11-methylhenicosa-6,15-diene is sourced from PubChem (CID 175445271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).