1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane

C27H52 — CID 58552482

IUPAC1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane
SMILESCCCC1CCCCCCCCCCC(C2CC(C)C(C)C(C)C2)CCC1
InChIInChI=1S/C27H52/c1-5-15-25-16-12-10-8-6-7-9-11-13-18-26(19-14-17-25)27-20-22(2)24(4)23(3)21-27/h22-27H,5-21H2,1-4H3
InChIKeyHPHDQVUFGCGUTH-UHFFFAOYSA-N
MW376.71 g/mol
LogP9.42
Rot. Bonds3

About 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane

1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane (PubChem CID 58552482) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane.

Molecular Properties

Compound Name1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane
PubChem CID58552482
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane
SMILESCCCC1CCCCCCCCCCC(C2CC(C)C(C)C(C)C2)CCC1
InChIInChI=1S/C27H52/c1-5-15-25-16-12-10-8-6-7-9-11-13-18-26(19-14-17-25)27-20-22(2)24(4)23(3)21-27/h22-27H,5-21H2,1-4H3
InChIKeyHPHDQVUFGCGUTH-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-6-propylcyclodecane
CID 58552139
propylcyclotetradecane
CID 90991550
3-propylbicyclo[5.1.0]octane
CID 123651402
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-methyl-5-propylcyclononane
CID 54361658
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
formaldehyde;propylcyclohexane
CID 174845889
formonitrile;propylcyclohexane
CID 174902049
2-ethyl-1-methyl-4-propylcyclodecane
CID 123259333

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane?
The IUPAC name of 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane (CID 58552482) is 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane.
What is the SMILES notation for 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane?
The canonical SMILES for 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane is CCCC1CCCCCCCCCCC(C2CC(C)C(C)C(C)C2)CCC1.
What is the InChIKey of 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane?
The InChIKey is HPHDQVUFGCGUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52/c1-5-15-25-16-12-10-8-6-7-9-11-13-18-26(19-14-17-25)27-20-22(2)24(4)23(3)21-27/h22-27H,5-21H2,1-4H3.
What are the key properties of 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane?
1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane has a molecular weight of 376.71 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane is sourced from PubChem (CID 58552482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).