1-butyl-5-cyclohexylcyclopentadecane

C25H48 — CID 58552501

IUPAC1-butyl-5-cyclohexylcyclopentadecane
SMILESCCCCC1CCCCCCCCCCC(C2CCCCC2)CCC1
InChIInChI=1S/C25H48/c1-2-3-16-23-17-11-8-6-4-5-7-9-12-19-25(22-15-18-23)24-20-13-10-14-21-24/h23-25H,2-22H2,1H3
InChIKeyMCTJABHBCBJKLW-UHFFFAOYSA-N
MW348.66 g/mol
LogP9.07
Rot. Bonds4

About 1-butyl-5-cyclohexylcyclopentadecane

1-butyl-5-cyclohexylcyclopentadecane (PubChem CID 58552501) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 1-butyl-5-cyclohexylcyclopentadecane.

Molecular Properties

Compound Name1-butyl-5-cyclohexylcyclopentadecane
PubChem CID58552501
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name1-butyl-5-cyclohexylcyclopentadecane
SMILESCCCCC1CCCCCCCCCCC(C2CCCCC2)CCC1
InChIInChI=1S/C25H48/c1-2-3-16-23-17-11-8-6-4-5-7-9-12-19-25(22-15-18-23)24-20-13-10-14-21-24/h23-25H,2-22H2,1H3
InChIKeyMCTJABHBCBJKLW-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
CID 58552665
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
CID 171376493
CID 171376493
butylcyclohexane;N-methylmethanamine
CID 174941558
1-butyl-4-propylcyclononane
CID 123467552
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
1-cyclohexyl-6-propylcyclodecane
CID 58552139
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
tetradecylcyclododecane
CID 169026037
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-cyclohexylcyclopentadecane?
The IUPAC name of 1-butyl-5-cyclohexylcyclopentadecane (CID 58552501) is 1-butyl-5-cyclohexylcyclopentadecane.
What is the SMILES notation for 1-butyl-5-cyclohexylcyclopentadecane?
The canonical SMILES for 1-butyl-5-cyclohexylcyclopentadecane is CCCCC1CCCCCCCCCCC(C2CCCCC2)CCC1.
What is the InChIKey of 1-butyl-5-cyclohexylcyclopentadecane?
The InChIKey is MCTJABHBCBJKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-2-3-16-23-17-11-8-6-4-5-7-9-12-19-25(22-15-18-23)24-20-13-10-14-21-24/h23-25H,2-22H2,1H3.
What are the key properties of 1-butyl-5-cyclohexylcyclopentadecane?
1-butyl-5-cyclohexylcyclopentadecane has a molecular weight of 348.66 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-cyclohexylcyclopentadecane is sourced from PubChem (CID 58552501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).