1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C31H58 — CID 58552772

IUPAC1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCC1CCCCCCCCCCC(C2C(CC)CCC3CCCCC32)CCC1
InChIInChI=1S/C31H58/c1-3-5-17-26-18-12-10-8-6-7-9-11-13-21-29(22-16-19-26)31-27(4-2)24-25-28-20-14-15-23-30(28)31/h26-31H,3-25H2,1-2H3
InChIKeyBEGKKIJAQGEKET-UHFFFAOYSA-N
MW430.81 g/mol
LogP10.74
Rot. Bonds5

About 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 58552772) has the molecular formula C31H58 and a molecular weight of 430.81 g/mol. Its IUPAC name is 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID58552772
Molecular FormulaC31H58
Molecular Weight430.81 g/mol
Exact Mass430.45
IUPAC Name1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCC1CCCCCCCCCCC(C2C(CC)CCC3CCCCC32)CCC1
InChIInChI=1S/C31H58/c1-3-5-17-26-18-12-10-8-6-7-9-11-13-21-29(22-16-19-26)31-27(4-2)24-25-28-20-14-15-23-30(28)31/h26-31H,3-25H2,1-2H3
InChIKeyBEGKKIJAQGEKET-UHFFFAOYSA-N
XLogP10.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane
CID 58552183
1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
CID 58552665
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70637827
1-butyl-4-propylcyclononane
CID 123467552
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane
CID 160507844
(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane
CID 158900562
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
5-butyl-4-(3,4-diethylcyclohexyl)-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 160646445
butylcyclohexane;N-methylmethanamine
CID 174941558
CID 171376493
CID 171376493

Frequently Asked Questions

What is the IUPAC name of 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 58552772) is 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCCC1CCCCCCCCCCC(C2C(CC)CCC3CCCCC32)CCC1.
What is the InChIKey of 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is BEGKKIJAQGEKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58/c1-3-5-17-26-18-12-10-8-6-7-9-11-13-21-29(22-16-19-26)31-27(4-2)24-25-28-20-14-15-23-30(28)31/h26-31H,3-25H2,1-2H3.
What are the key properties of 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 430.81 g/mol, XLogP of 10.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 58552772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).