octylcyclotetradecane

C22H44 — CID 175261841

IUPACoctylcyclotetradecane
SMILESCCCCCCCCC1CCCCCCCCCCCCC1
InChIInChI=1S/C22H44/c1-2-3-4-5-13-16-19-22-20-17-14-11-9-7-6-8-10-12-15-18-21-22/h22H,2-21H2,1H3
InChIKeyWEAXTRRBZXUQSY-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.44
Rot. Bonds7

About octylcyclotetradecane

octylcyclotetradecane (PubChem CID 175261841) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is octylcyclotetradecane.

Molecular Properties

Compound Nameoctylcyclotetradecane
PubChem CID175261841
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Nameoctylcyclotetradecane
SMILESCCCCCCCCC1CCCCCCCCCCCCC1
InChIInChI=1S/C22H44/c1-2-3-4-5-13-16-19-22-20-17-14-11-9-7-6-8-10-12-15-18-21-22/h22H,2-21H2,1H3
InChIKeyWEAXTRRBZXUQSY-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.44
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
tetradecylcyclododecane
CID 169026037
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 octylcyclotetradecane?
The IUPAC name of octylcyclotetradecane (CID 175261841) is octylcyclotetradecane.
What is the SMILES notation for octylcyclotetradecane?
The canonical SMILES for octylcyclotetradecane is CCCCCCCCC1CCCCCCCCCCCCC1.
What is the InChIKey of octylcyclotetradecane?
The InChIKey is WEAXTRRBZXUQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-2-3-4-5-13-16-19-22-20-17-14-11-9-7-6-8-10-12-15-18-21-22/h22H,2-21H2,1H3.
What are the key properties of octylcyclotetradecane?
octylcyclotetradecane has a molecular weight of 308.59 g/mol, XLogP of 8.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octylcyclotetradecane is sourced from PubChem (CID 175261841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).