2-(14-butoxytetradecyl)cyclohexa-1,3-diene

C24H44O — CID 145255742

IUPAC2-(14-butoxytetradecyl)cyclohexa-1,3-diene
SMILESCCCCOCCCCCCCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C24H44O/c1-2-3-22-25-23-18-13-11-9-7-5-4-6-8-10-12-15-19-24-20-16-14-17-21-24/h16,20-21H,2-15,17-19,22-23H2,1H3
InChIKeyZJONHLQHEUNJGI-UHFFFAOYSA-N
MW348.62 g/mol
LogP8.15
Rot. Bonds18

About 2-(14-butoxytetradecyl)cyclohexa-1,3-diene

2-(14-butoxytetradecyl)cyclohexa-1,3-diene (PubChem CID 145255742) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-(14-butoxytetradecyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(14-butoxytetradecyl)cyclohexa-1,3-diene
PubChem CID145255742
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name2-(14-butoxytetradecyl)cyclohexa-1,3-diene
SMILESCCCCOCCCCCCCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C24H44O/c1-2-3-22-25-23-18-13-11-9-7-5-4-6-8-10-12-15-19-24-20-16-14-17-21-24/h16,20-21H,2-15,17-19,22-23H2,1H3
InChIKeyZJONHLQHEUNJGI-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(14-cyclohexa-1,5-dien-1-yltetradecoxy)pentan-2-yloxymethylbenzene;ethane
CID 145255669
CID 145359118
CID 145359118
2-heptoxycyclohexa-1,3-diene
CID 21485321
N-benzyl-N-(2-cyclohexa-1,5-dien-1-ylethyl)-5-(4-phenylbutoxy)pentan-1-amine
CID 57098648
2-heptadecylcyclopenta-1,3-diene
CID 91156945
(4S,5S)-4-(2-cyclohexa-1,5-dien-1-ylethyl)-5-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11119906
1-butoxydotriacontane
CID 91693232
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1,10-bis(2-butoxyethoxy)decane
CID 90257337
10-butoxydecylbenzene
CID 151496754
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 2-(14-butoxytetradecyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(14-butoxytetradecyl)cyclohexa-1,3-diene (CID 145255742) is 2-(14-butoxytetradecyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(14-butoxytetradecyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(14-butoxytetradecyl)cyclohexa-1,3-diene is CCCCOCCCCCCCCCCCCCCC1=CCCC=C1.
What is the InChIKey of 2-(14-butoxytetradecyl)cyclohexa-1,3-diene?
The InChIKey is ZJONHLQHEUNJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-2-3-22-25-23-18-13-11-9-7-5-4-6-8-10-12-15-19-24-20-16-14-17-21-24/h16,20-21H,2-15,17-19,22-23H2,1H3.
What are the key properties of 2-(14-butoxytetradecyl)cyclohexa-1,3-diene?
2-(14-butoxytetradecyl)cyclohexa-1,3-diene has a molecular weight of 348.62 g/mol, XLogP of 8.15, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-butoxytetradecyl)cyclohexa-1,3-diene is sourced from PubChem (CID 145255742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).