1,3-diethyl-1-propylcyclohexadecane

C23H46 — CID 123944709

IUPAC1,3-diethyl-1-propylcyclohexadecane
SMILESCCCC1(CC)CCCCCCCCCCCCCC(CC)C1
InChIInChI=1S/C23H46/c1-4-19-23(6-3)20-17-15-13-11-9-7-8-10-12-14-16-18-22(5-2)21-23/h22H,4-21H2,1-3H3
InChIKeyFOSOHARABKNUKH-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.68
Rot. Bonds4

About 1,3-diethyl-1-propylcyclohexadecane

1,3-diethyl-1-propylcyclohexadecane (PubChem CID 123944709) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1,3-diethyl-1-propylcyclohexadecane.

Molecular Properties

Compound Name1,3-diethyl-1-propylcyclohexadecane
PubChem CID123944709
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1,3-diethyl-1-propylcyclohexadecane
SMILESCCCC1(CC)CCCCCCCCCCCCCC(CC)C1
InChIInChI=1S/C23H46/c1-4-19-23(6-3)20-17-15-13-11-9-7-8-10-12-14-16-18-22(5-2)21-23/h22H,4-21H2,1-3H3
InChIKeyFOSOHARABKNUKH-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-1,3-diethylcyclopentane
CID 144986630
ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761
1-ethyl-1-propylcyclobutane
CID 58586108
1-(1-cyclohexylcyclopentyl)-1-propylcyclohexane
CID 90741869
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine
CID 54557959
1,1-diethylcyclohexane;ethane
CID 142116480
1,4-diethyl-1-propylcyclohexane;1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085741
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine
CID 65401872
ethylcyclooctane;fluoromethane
CID 174962953

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-propylcyclohexadecane?
The IUPAC name of 1,3-diethyl-1-propylcyclohexadecane (CID 123944709) is 1,3-diethyl-1-propylcyclohexadecane.
What is the SMILES notation for 1,3-diethyl-1-propylcyclohexadecane?
The canonical SMILES for 1,3-diethyl-1-propylcyclohexadecane is CCCC1(CC)CCCCCCCCCCCCCC(CC)C1.
What is the InChIKey of 1,3-diethyl-1-propylcyclohexadecane?
The InChIKey is FOSOHARABKNUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-4-19-23(6-3)20-17-15-13-11-9-7-8-10-12-14-16-18-22(5-2)21-23/h22H,4-21H2,1-3H3.
What are the key properties of 1,3-diethyl-1-propylcyclohexadecane?
1,3-diethyl-1-propylcyclohexadecane has a molecular weight of 322.62 g/mol, XLogP of 8.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-propylcyclohexadecane is sourced from PubChem (CID 123944709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).