tetradecane;undecylcyclopropane

C28H58 — CID 173215670

IUPACtetradecane;undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1.CCCCCCCCCCCCCC
InChIInChI=1S/C14H28.C14H30/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-14;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h14H,2-13H2,1H3;3-14H2,1-2H3
InChIKeyKWVUIJOEOQVJPN-UHFFFAOYSA-N
MW394.77 g/mol
LogP11.02
Rot. Bonds21

About tetradecane;undecylcyclopropane

tetradecane;undecylcyclopropane (PubChem CID 173215670) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is tetradecane;undecylcyclopropane.

Molecular Properties

Compound Nametetradecane;undecylcyclopropane
PubChem CID173215670
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Nametetradecane;undecylcyclopropane
SMILESCCCCCCCCCCCC1CC1.CCCCCCCCCCCCCC
InChIInChI=1S/C14H28.C14H30/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-14;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h14H,2-13H2,1H3;3-14H2,1-2H3
InChIKeyKWVUIJOEOQVJPN-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 511.02
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

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-fluoro-4-heptylcyclohexane
CID 71196298
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of tetradecane;undecylcyclopropane?
The IUPAC name of tetradecane;undecylcyclopropane (CID 173215670) is tetradecane;undecylcyclopropane.
What is the SMILES notation for tetradecane;undecylcyclopropane?
The canonical SMILES for tetradecane;undecylcyclopropane is CCCCCCCCCCCC1CC1.CCCCCCCCCCCCCC.
What is the InChIKey of tetradecane;undecylcyclopropane?
The InChIKey is KWVUIJOEOQVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C14H30/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-14;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h14H,2-13H2,1H3;3-14H2,1-2H3.
What are the key properties of tetradecane;undecylcyclopropane?
tetradecane;undecylcyclopropane has a molecular weight of 394.77 g/mol, XLogP of 11.02, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane;undecylcyclopropane is sourced from PubChem (CID 173215670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).