1,1-dihexadecylcyclopentane

C37H74 — CID 141255150

IUPAC1,1-dihexadecylcyclopentane
SMILESCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCC)CCCC1
InChIInChI=1S/C37H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37(35-31-32-36-37)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyAJVIWDGVSVBOJT-UHFFFAOYSA-N
MW519.00 g/mol
LogP14.29
Rot. Bonds30

About 1,1-dihexadecylcyclopentane

1,1-dihexadecylcyclopentane (PubChem CID 141255150) has the molecular formula C37H74 and a molecular weight of 519.00 g/mol. Its IUPAC name is 1,1-dihexadecylcyclopentane.

Molecular Properties

Compound Name1,1-dihexadecylcyclopentane
PubChem CID141255150
Molecular FormulaC37H74
Molecular Weight519.00 g/mol
Exact Mass518.58
IUPAC Name1,1-dihexadecylcyclopentane
SMILESCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCC)CCCC1
InChIInChI=1S/C37H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37(35-31-32-36-37)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyAJVIWDGVSVBOJT-UHFFFAOYSA-N
XLogP14.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 514.29
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

1,1-dioctylcyclopentane
CID 54295272
1,1-di(nonyl)cyclopentane
CID 154318487
1,1-dipentylcyclononane
CID 169026027
(1-hexylcyclohexyl)methanol
CID 66024993
(1-pentylcyclopentyl)methanamine
CID 62725889
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131

Frequently Asked Questions

What is the IUPAC name of 1,1-dihexadecylcyclopentane?
The IUPAC name of 1,1-dihexadecylcyclopentane (CID 141255150) is 1,1-dihexadecylcyclopentane.
What is the SMILES notation for 1,1-dihexadecylcyclopentane?
The canonical SMILES for 1,1-dihexadecylcyclopentane is CCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCC)CCCC1.
What is the InChIKey of 1,1-dihexadecylcyclopentane?
The InChIKey is AJVIWDGVSVBOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37(35-31-32-36-37)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3.
What are the key properties of 1,1-dihexadecylcyclopentane?
1,1-dihexadecylcyclopentane has a molecular weight of 519.00 g/mol, XLogP of 14.29, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihexadecylcyclopentane is sourced from PubChem (CID 141255150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).