(5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one

C20H30O — CID 142893760

IUPAC(5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one
SMILESCCCC[C@@H]1C=CCC2C(=O)C(C3CCCCC3)=CCC21
InChIInChI=1S/C20H30O/c1-2-3-8-15-11-7-12-19-17(15)13-14-18(20(19)21)16-9-5-4-6-10-16/h7,11,14-17,19H,2-6,8-10,12-13H2,1H3/t15-,17?,19?/m1/s1
InChIKeyZRTXASBQQOBQNT-LSJNQWAISA-N
MW286.46 g/mol
LogP5.46
Rot. Bonds4

About (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one

(5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one (PubChem CID 142893760) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one.

Molecular Properties

Compound Name(5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one
PubChem CID142893760
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one
SMILESCCCC[C@@H]1C=CCC2C(=O)C(C3CCCCC3)=CCC21
InChIInChI=1S/C20H30O/c1-2-3-8-15-11-7-12-19-17(15)13-14-18(20(19)21)16-9-5-4-6-10-16/h7,11,14-17,19H,2-6,8-10,12-13H2,1H3/t15-,17?,19?/m1/s1
InChIKeyZRTXASBQQOBQNT-LSJNQWAISA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one?
The IUPAC name of (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one (CID 142893760) is (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one.
What is the SMILES notation for (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one?
The canonical SMILES for (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one is CCCC[C@@H]1C=CCC2C(=O)C(C3CCCCC3)=CCC21.
What is the InChIKey of (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one?
The InChIKey is ZRTXASBQQOBQNT-LSJNQWAISA-N. The full InChI is InChI=1S/C20H30O/c1-2-3-8-15-11-7-12-19-17(15)13-14-18(20(19)21)16-9-5-4-6-10-16/h7,11,14-17,19H,2-6,8-10,12-13H2,1H3/t15-,17?,19?/m1/s1.
What are the key properties of (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one?
(5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one has a molecular weight of 286.46 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-2-cyclohexyl-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one is sourced from PubChem (CID 142893760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).