tetradecylcyclododecane

C26H52 — CID 169026037

IUPACtetradecylcyclododecane
SMILESCCCCCCCCCCCCCCC1CCCCCCCCCCC1
InChIInChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-11-14-17-20-23-26-24-21-18-15-12-10-13-16-19-22-25-26/h26H,2-25H2,1H3
InChIKeyNSMPIBGDRFBBFV-UHFFFAOYSA-N
MW364.70 g/mol
LogP10.00
Rot. Bonds13

About tetradecylcyclododecane

tetradecylcyclododecane (PubChem CID 169026037) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is tetradecylcyclododecane.

Molecular Properties

Compound Nametetradecylcyclododecane
PubChem CID169026037
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Nametetradecylcyclododecane
SMILESCCCCCCCCCCCCCCC1CCCCCCCCCCC1
InChIInChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-11-14-17-20-23-26-24-21-18-15-12-10-13-16-19-22-25-26/h26H,2-25H2,1H3
InChIKeyNSMPIBGDRFBBFV-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
azane;heptylcyclohexane
CID 121434222
ethene;pentylcyclopentane
CID 145442606
heptylcyclohexane;propan-2-one
CID 143570854
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746

Frequently Asked Questions

What is the IUPAC name of tetradecylcyclododecane?
The IUPAC name of tetradecylcyclododecane (CID 169026037) is tetradecylcyclododecane.
What is the SMILES notation for tetradecylcyclododecane?
The canonical SMILES for tetradecylcyclododecane is CCCCCCCCCCCCCCC1CCCCCCCCCCC1.
What is the InChIKey of tetradecylcyclododecane?
The InChIKey is NSMPIBGDRFBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-11-14-17-20-23-26-24-21-18-15-12-10-13-16-19-22-25-26/h26H,2-25H2,1H3.
What are the key properties of tetradecylcyclododecane?
tetradecylcyclododecane has a molecular weight of 364.70 g/mol, XLogP of 10.00, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylcyclododecane is sourced from PubChem (CID 169026037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).