tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone

C38H60O2 — CID 143761588

IUPACtert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(C)cc1.CC(C)(C)C1CCCCC1.CCC1CCCO1.CCc1ccc2c(c1)CCC(C)C2
InChIInChI=1S/C13H18.C10H20.C9H10O.C6H12O/c1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-10(2,3)9-7-5-4-6-8-9;1-7-3-5-9(6-4-7)8(2)10;1-2-6-4-3-5-7-6/h5,7,9-10H,3-4,6,8H2,1-2H3;9H,4-8H2,1-3H3;3-6H,1-2H3;6H,2-5H2,1H3
InChIKeyAFVXSYJSBFJGMI-UHFFFAOYSA-N
MW548.90 g/mol
LogP10.76
Rot. Bonds3

About tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone

tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone (PubChem CID 143761588) has the molecular formula C38H60O2 and a molecular weight of 548.90 g/mol. Its IUPAC name is tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Nametert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone
PubChem CID143761588
Molecular FormulaC38H60O2
Molecular Weight548.90 g/mol
Exact Mass548.46
IUPAC Nametert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(C)cc1.CC(C)(C)C1CCCCC1.CCC1CCCO1.CCc1ccc2c(c1)CCC(C)C2
InChIInChI=1S/C13H18.C10H20.C9H10O.C6H12O/c1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-10(2,3)9-7-5-4-6-8-9;1-7-3-5-9(6-4-7)8(2)10;1-2-6-4-3-5-7-6/h5,7,9-10H,3-4,6,8H2,1-2H3;9H,4-8H2,1-3H3;3-6H,1-2H3;6H,2-5H2,1H3
InChIKeyAFVXSYJSBFJGMI-UHFFFAOYSA-N
XLogP10.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.90
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone?
The IUPAC name of tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone (CID 143761588) is tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone.
What is the SMILES notation for tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone?
The canonical SMILES for tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone is CC(=O)c1ccc(C)cc1.CC(C)(C)C1CCCCC1.CCC1CCCO1.CCc1ccc2c(c1)CCC(C)C2.
What is the InChIKey of tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone?
The InChIKey is AFVXSYJSBFJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C10H20.C9H10O.C6H12O/c1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-10(2,3)9-7-5-4-6-8-9;1-7-3-5-9(6-4-7)8(2)10;1-2-6-4-3-5-7-6/h5,7,9-10H,3-4,6,8H2,1-2H3;9H,4-8H2,1-3H3;3-6H,1-2H3;6H,2-5H2,1H3.
What are the key properties of tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone?
tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone has a molecular weight of 548.90 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;6-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene;2-ethyloxolane;1-(4-methylphenyl)ethanone is sourced from PubChem (CID 143761588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).