octadecane;pentadecylcyclopropane

C36H74 — CID 173301851

IUPACoctadecane;pentadecylcyclopropane
SMILESCCCCCCCCCCCCCCCC1CC1.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H36.C18H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-18;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h18H,2-17H2,1H3;3-18H2,1-2H3
InChIKeyMDRYVJWDSUGXQD-UHFFFAOYSA-N
MW506.99 g/mol
LogP14.15
Rot. Bonds29

About octadecane;pentadecylcyclopropane

octadecane;pentadecylcyclopropane (PubChem CID 173301851) has the molecular formula C36H74 and a molecular weight of 506.99 g/mol. Its IUPAC name is octadecane;pentadecylcyclopropane.

Molecular Properties

Compound Nameoctadecane;pentadecylcyclopropane
PubChem CID173301851
Molecular FormulaC36H74
Molecular Weight506.99 g/mol
Exact Mass506.58
IUPAC Nameoctadecane;pentadecylcyclopropane
SMILESCCCCCCCCCCCCCCCC1CC1.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H36.C18H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-18;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h18H,2-17H2,1H3;3-18H2,1-2H3
InChIKeyMDRYVJWDSUGXQD-UHFFFAOYSA-N
XLogP14.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 514.15
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
tetradecane;undecylcyclopropane
CID 173215670
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 octadecane;pentadecylcyclopropane?
The IUPAC name of octadecane;pentadecylcyclopropane (CID 173301851) is octadecane;pentadecylcyclopropane.
What is the SMILES notation for octadecane;pentadecylcyclopropane?
The canonical SMILES for octadecane;pentadecylcyclopropane is CCCCCCCCCCCCCCCC1CC1.CCCCCCCCCCCCCCCCCC.
What is the InChIKey of octadecane;pentadecylcyclopropane?
The InChIKey is MDRYVJWDSUGXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36.C18H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17-18;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h18H,2-17H2,1H3;3-18H2,1-2H3.
What are the key properties of octadecane;pentadecylcyclopropane?
octadecane;pentadecylcyclopropane has a molecular weight of 506.99 g/mol, XLogP of 14.15, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane;pentadecylcyclopropane is sourced from PubChem (CID 173301851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).