8,10-dimethyl-7-prop-1-en-2-ylhenicosane

C26H52 — CID 59273185

IUPAC8,10-dimethyl-7-prop-1-en-2-ylhenicosane
SMILESC=C(C)C(CCCCCC)C(C)CC(C)CCCCCCCCCCC
InChIInChI=1S/C26H52/c1-7-9-11-13-14-15-16-17-18-20-24(5)22-25(6)26(23(3)4)21-19-12-10-8-2/h24-26H,3,7-22H2,1-2,4-6H3
InChIKeyFSWMPTBCCCNWKK-UHFFFAOYSA-N
MW364.70 g/mol
LogP9.73
Rot. Bonds19

About 8,10-dimethyl-7-prop-1-en-2-ylhenicosane

8,10-dimethyl-7-prop-1-en-2-ylhenicosane (PubChem CID 59273185) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is 8,10-dimethyl-7-prop-1-en-2-ylhenicosane.

Molecular Properties

Compound Name8,10-dimethyl-7-prop-1-en-2-ylhenicosane
PubChem CID59273185
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Name8,10-dimethyl-7-prop-1-en-2-ylhenicosane
SMILESC=C(C)C(CCCCCC)C(C)CC(C)CCCCCCCCCCC
InChIInChI=1S/C26H52/c1-7-9-11-13-14-15-16-17-18-20-24(5)22-25(6)26(23(3)4)21-19-12-10-8-2/h24-26H,3,7-22H2,1-2,4-6H3
InChIKeyFSWMPTBCCCNWKK-UHFFFAOYSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 59.73
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

6,8-dimethylhexadecane
CID 91185725
(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
CID 10858039
2,3,4-trimethyltetradec-1-ene
CID 123582556
2,11-dimethylnonadec-1-ene
CID 123484198
5,15,17-trimethylpentatriacontane
CID 172565406
(4R,6S)-4,6-dimethyldodecane
CID 162976966
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
15,19,21-trimethylheptatriacontane
CID 20837834
2-(4-methylundecan-2-yl)propanedioic acid
CID 118536076
(7R,9S)-7,9-dimethylhexadecan-1-ol
CID 11196523
2,4-dimethylnon-1-ene
CID 55268908

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-7-prop-1-en-2-ylhenicosane?
The IUPAC name of 8,10-dimethyl-7-prop-1-en-2-ylhenicosane (CID 59273185) is 8,10-dimethyl-7-prop-1-en-2-ylhenicosane.
What is the SMILES notation for 8,10-dimethyl-7-prop-1-en-2-ylhenicosane?
The canonical SMILES for 8,10-dimethyl-7-prop-1-en-2-ylhenicosane is C=C(C)C(CCCCCC)C(C)CC(C)CCCCCCCCCCC.
What is the InChIKey of 8,10-dimethyl-7-prop-1-en-2-ylhenicosane?
The InChIKey is FSWMPTBCCCNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-7-9-11-13-14-15-16-17-18-20-24(5)22-25(6)26(23(3)4)21-19-12-10-8-2/h24-26H,3,7-22H2,1-2,4-6H3.
What are the key properties of 8,10-dimethyl-7-prop-1-en-2-ylhenicosane?
8,10-dimethyl-7-prop-1-en-2-ylhenicosane has a molecular weight of 364.70 g/mol, XLogP of 9.73, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-7-prop-1-en-2-ylhenicosane is sourced from PubChem (CID 59273185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).